SCHEMBL21786592

SCHEMBL21786592

Cc1cccc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(N)=O)n(C)n3)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.39
FFAR1 O14842 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CCR5 P51681 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMPD1 P17405 1/20 0.35
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL23913071 0.89 PTGER1 (0.43) PTGER1MRGPRX4MAPTCCR5RAB9A
SCHEMBL22825455 0.89 PTGER1 (0.36) PTGER1MRGPRX4HTR2AHTR2CPOLB
SCHEMBL22791092 0.88 PTGER1 (0.35) PTGER1MRGPRX4HTR2AHTR2CCNR1
SCHEMBL24127547 0.87 MAPT (0.39) PTGER1SMN1; SMN2POLBMAPTCCR5
SCHEMBL21786591 0.82 KMT2A (0.41) PTGER1FFAR1POLBHPGDMAPT
SCHEMBL22791194 0.80 MRGPRX4 (0.39) PTGER1MRGPRX4HTR2AHTR2CSMPD1
SCHEMBL21786411 0.77 KCNT1 (0.36) PTGER1FFAR1MRGPRX4SMN1; SMN2MAPK1
SCHEMBL21786529 0.76 PTPN2 (0.39) PTGER1MRGPRX4KMT2AALDH1A1
SCHEMBL22791128 0.76 PTGER1 (0.41) PTGER1MRGPRX4
SCHEMBL21786627 0.76 MAPT (0.41) PTGER1FFAR1MRGPRX4MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO disclosed