SCHEMBL8629448

SCHEMBL8629448

CCOc1ccc(-n2[c]nnc2-c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CACNA2D1 P54289 10/20 0.46
BCHE P06276 1/20 0.45
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 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
SCHEMBL8629000 0.88 SMN1; SMN2 (0.58) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL8629178 0.85 TSHR (0.50) TSHRHPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL8682578 0.85 HIF1A (0.48) ALDH1A1HPGDSMN1; SMN2KMT2ACYP3A4
SCHEMBL8630428 0.85 GAA (0.46) TSHRHPGDSMN1; SMN2CYP3A4CYP2D6
SCHEMBL8628934 0.76 HSD17B10 (0.44) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL8628198 0.76 NOTUM (0.44) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL15709070 0.73 ALDH1A1 (0.64) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL14990810 0.72 CYP3A4 (0.71) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL20869595 0.71 TSHR (0.71) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A
SCHEMBL8631163 0.71 KDM4E (0.40) ALDH1A1TSHRHPGDSMN1; SMN2KMT2A

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