SCHEMBL8631163

SCHEMBL8631163

Cc1ccc(-c2nn[c]n2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PTGS2 P35354 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 3/20 0.34
CNR1 P21554 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ADORA1 P30542 1/20 0.34

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 0.74 GAA (0.46) KDM4EL3MBTL1TSHRPTGS2NPC1
SCHEMBL8628934 0.73 HSD17B10 (0.44) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13231655 0.69 KDM4E (0.57) KDM4EL3MBTL1ALOX15TSHRNPC1
SCHEMBL14269339 0.67 ELANE (0.59) TSHRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14804402 0.63 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL812519 0.63 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13951976 0.61 TSHR (0.55) KDM4EL3MBTL1ALOX15TSHRSMN1; SMN2
SCHEMBL14394534 0.61 NPC1 (0.44) KDM4EL3MBTL1ALOX15TSHRNPC1
SCHEMBL4391055 0.60 KMT2A (0.43) L3MBTL1TSHRNPC1RAB9AKMT2A
SCHEMBL12427242 0.60 AVPR1A (0.61) KDM4EL3MBTL1ALOX15TSHRSMN1; SMN2

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 8 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-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