SCHEMBL18084345

SCHEMBL18084345

CC/N=c1\ccc2c(-c3ccccc3C(=O)NC)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.43
▸ TGM2 P21980 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ ATM Q13315 3/20 0.40
▸ CFTR P13569 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ GOPC Q9HD26 1/20 0.40
▸ P2RY6 Q15077 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ CDC25C P30307 1/20 0.37

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
SCHEMBL17517217 0.90 TGM2 (0.42) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL15100483 0.90 TGM2 (0.42) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL15100480 0.89 ABCB1 (0.53) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL12103999 0.89 MEN1 (0.43) FPR2TGM2MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL11336327 0.89 TGM2 (0.42) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL22851948 0.87 MAOB (0.45) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL2732905 0.84 ABCB1 (0.43) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL15462762 0.83 MEN1 (0.43) TGM2MEN1KMT2AUSP2POLB
SCHEMBL26054317 0.82 TGM2 (0.48) FPR2TGM2MEN1KMT2AUSP2
SCHEMBL15704737 0.82 MEN1 (0.41) FPR2TGM2MEN1KMT2AUSP2

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-20160252488-A1 NOVEL LIGAND FOR DETECTION OF CHROMIUM (III) AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-01 — — US disclosed
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