SCHEMBL6567309

SCHEMBL6567309

COc1cccc2cc(OCc3ccccc3)c(C(C)=O)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.50
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
RXRA P19793 1/20 0.47
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTR1A P08908 2/20 0.44

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
SCHEMBL6564103 0.88 MAOB (0.48) MRGPRX4HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6564091 0.84 MCHR1 (0.47) MRGPRX4MEN1KMT2AKDM4EMAPT
SCHEMBL8751228 0.82 ALDH1A1 (0.41) MRGPRX4HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL6565684 0.81 SMN1; SMN2 (0.63) MRGPRX4SRD5A1SRD5A2SMN1; SMN2MEN1
SCHEMBL6567160 0.80 MAOB (0.47) MRGPRX4HTTKDM4EALDH1A1MAPT
SCHEMBL8751130 0.79 KDM4E (0.37) MRGPRX4HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL6567304 0.77 HDAC8 (0.56) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6567173 0.76 LMNA (0.49) HPGDMEN1KMT2AHTTKDM4E
SCHEMBL20067905 0.76 SMN1; SMN2 (0.49) MRGPRX4SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL20616566 0.76 SMN1; SMN2 (0.49) MRGPRX4SRD5A1SRD5A2RXRAATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed