SCHEMBL8502519

SCHEMBL8502519

O=C(c1ccc(F)c(Cc2ccn[nH]c2=O)c1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ WDR5 P61964 3/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HSD17B14 Q9BPX1 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL8504731 0.91 HPGDS (0.35) WDR5HPGDSMEN1KMT2AKDM4E
SCHEMBL8502116 0.88 MEN1 (0.38) HPGDSCDK2MEN1KMT2AKDM4E
SCHEMBL8506458 0.87 MRGPRX4 (0.37) MRGPRX4HPGDSMEN1KMT2AKDM4E
SCHEMBL8505814 0.84 ADRB2 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL8503802 0.83 MAPT (0.42) MRGPRX4MEN1KMT2AALDH1A1USP2
SCHEMBL8503702 0.81 IL4I1 (0.37) MRGPRX4PARP1
SCHEMBL8505616 0.81 L3MBTL1 (0.42) MRGPRX4ALDH1A1USP2MAPTHTT
SCHEMBL8502190 0.80 GAA (0.38) MRGPRX4MEN1KMT2AKDM4EALDH1A1
SCHEMBL8503180 0.77 ALDH1A1 (0.37) WDR5MEN1KMT2AALDH1A1CYP1A2
SCHEMBL7582260 0.77 CYP3A4 (0.42) MRGPRX4WDR5CYP3A4LMNA

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
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
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