SCHEMBL8625316

SCHEMBL8625316

[c]1nnc(Nc2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 8/20 0.42
NPC1 O15118 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MEN1 O00255 6/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 4/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
CSNK2A1 P68400 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8630557 0.74 KDR (0.49) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11666704 0.72 RAB9A (0.59) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL23220335 0.68 NPC1 (0.64) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL8629253 0.65 ALDH1A1 (0.38) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL28972010 0.65 CSNK2A1 (0.51) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL3367143 0.65 ALDH1A1 (0.67) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL1819182 0.65 MAPT (0.59) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL23220354 0.64 RAB9A (0.58) HSD17B10RAB9ANPC1KMT2AALDH1A1
SCHEMBL12015939 0.64 NPC1 (0.73) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5058378 0.64 KMT2A (0.46) HSD17B10RAB9ANPC1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4250252-A A DEVELOPMENT-INHIBITOR-RELEASING COMPOUND COMPRISING A 5-(SULFOAMIDO-1-INDANONE-2-YL)THIO-TETRAZOLE AGFA-GEVAERT, A.G. (DE) 1981-02-10 US disclosed
US-4186012-A NON-DIFFUSIBLE THIOETHER RELEASES DIFFUSIBLE MERCAPTAN, SILVER HALIDE AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1980-01-29 US disclosed
US-4183752-A DEVELOPMENT INHIBITOR RELEASING THIOETHERS AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
US-4174969-A THIOETHER DEVELOPMENT INHIBITOR COMPOUND AGFA-GEVAERT, A.G. (DE) 1979-11-20 US disclosed
US-4171223-A DEVELOPMENT INHIBITOR COMPRISING A 1,2,5-THIADIAZOLINE-1,1-DIOXIDE COMPOUND AGFA-GEVAERT, A.G. (DE) 1979-10-16 US disclosed
US-4088491-A COLOR PHOTOGRAPHY, THIOETHERS, NONDIFFUSING AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4052213-A OXAZOLINONE-2-COMPOUNDS CONTAINING A MERCAPTO GROUP AGFA-GEVAERT, A.G. (DT) 1977-10-04 US disclosed
US-4046574-A COLOR PHOTOGRAPHIC MATERIAL WITH HOMOPHTHALIMIDE THIOETHER DEVELOPMENT INHIBITOR AGFA-GEVAERT, AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed