SCHEMBL8629178

SCHEMBL8629178

CCOc1ccc(-n2[c]nnc2-c2ccc(N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
CACNA2D1 P54289 10/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL8629000 0.86 SMN1; SMN2 (0.58) TSHRSMN1; SMN2HPGDCACNA2D1NPC1
SCHEMBL8629448 0.85 ALDH1A1 (0.49) TSHRSMN1; SMN2HPGDCACNA2D1NPC1
SCHEMBL8682578 0.79 HIF1A (0.48) TDP1SMN1; SMN2HPGDCACNA2D1NPC1
SCHEMBL8628198 0.75 NOTUM (0.44) TSHRTDP1SMN1; SMN2HPGDCACNA2D1
SCHEMBL3790560 0.73 TDP1 (0.86) TSHRTDP1SMN1; SMN2NPC1MEN1
SCHEMBL15703 0.71 TDP1 (1.00) TSHRTDP1SMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL4381222 0.69 TDP1 (0.95) TSHRTDP1SMN1; SMN2NPC1MEN1
Bromide SCHEMBL28053215 0.69 TDP1 (0.95) TSHRTDP1SMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL2864286 0.69 TDP1 (0.95) TSHRTDP1SMN1; SMN2NPC1MEN1
SCHEMBL12186489 0.67 TDP1 (0.68) TSHRTDP1SMN1; SMN2NPC1MEN1

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 9 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
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP 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-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed