SCHEMBL14403617

SCHEMBL14403617

CC(C)(CC(=O)O)c1cc2cc([N+](=O)[O-])ccc2n1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CCR2 P41597 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ TBXA2R P21731 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ F2R P25116 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ F2RL3 Q96RI0 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ GLS O94925 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ AHR P35869 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP6 P55212 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
SCHEMBL1465623 0.87 MAPT (0.49) MAPTPOLBATMCCR2CYP19A1
SCHEMBL19077832 0.86 MAPT (0.45) MAPTPOLBATMCCR2CYP19A1
SCHEMBL1465256 0.86 LMNA (0.43) MAPTPOLBATMMEN1LMNA
SCHEMBL8124685 0.77 CCR2 (0.62) MAPTPOLBATMCCR2CYP19A1
SCHEMBL8131716 0.74 MAPT (0.50) MAPTPOLBATMCCR2CYP19A1
SCHEMBL26597106 0.73 POLB (0.52) MAPTPOLBATMCCR2CYP19A1
SCHEMBL1252366 0.73 CCR2 (0.51) MAPTPOLBATMCCR2CYP19A1
SCHEMBL2122743 0.72 CYP19A1 (0.66) MAPTPOLBATMCCR2CYP19A1
SCHEMBL19335128 0.71 CYP19A1 (0.53) MAPTCYP19A1MEN1LMNAKMT2A
SCHEMBL2001099 0.70 CYP19A1 (0.46) MAPTPOLBCCR2CYP19A1MEN1

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
US-8835020-B2 Blue fluorescent composition and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2014-09-16 — — US disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
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