SCHEMBL8628934

SCHEMBL8628934

[c]1nnc(-c2ccncc2)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
NOTUM Q6P988 1/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
P2RX7 Q99572 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
MAPK10 P53779 4/20 0.37
MAPK9 P45984 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
APAF1 O14727 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL8630428 0.80 GAA (0.46) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8629448 0.76 ALDH1A1 (0.49) HSD17B10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8627552 0.75 PTGS2 (0.50)
SCHEMBL8631163 0.73 KDM4E (0.40) HSD17B10KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL795390 0.72 AVPR1A (0.39) HSD17B10KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8630057 0.71 BCHE (0.41) HSD17B10KDM4EALDH1A1NOTUMMAPK1
SCHEMBL8628906 0.71 MEN1 (0.40) HSD17B10KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL11965040 0.69 HSD17B10 (0.69) HSD17B10KDM4EALDH1A1NOTUMSMN1; SMN2
SCHEMBL8633146 0.68 KDM4E (0.35) HSD17B10KDM4EALDH1A1NOTUMMAPK1
SCHEMBL8629698 0.68 GAA (0.34) KDM4EALDH1A1NOTUMSMN1; SMN2NPC1

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 6 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