SCHEMBL2224729

SCHEMBL2224729

O=C(O)c1ccc(CNO)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 3/20 0.60
THRB P10828 1/20 0.56
IDO1 P14902 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 3/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEP1B Q16820 1/20 0.50
SELL P14151 1/20 0.49
SELP P16109 1/20 0.49
SELE P16581 1/20 0.49
MEN1 O00255 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3503996 0.84 ALDH1A1 (0.81) KMT2AALDH1A1TP53TSHRNR1H4
Hydrochloric Acid SCHEMBL15392980 0.82 ALDH1A1 (0.78) KMT2AALDH1A1TP53TSHRNR1H4
SCHEMBL19422110 0.80 KMT2A (0.61) KMT2AALDH1A1THRBIDO1NR1H4
SCHEMBL2938207 0.80 ALDH1A1 (0.69) KMT2AALDH1A1TP53TSHRNR1H4
SCHEMBL17742304 0.80 ALDH1A1 (0.63) KMT2AALDH1A1THRBTP53TSHR
SCHEMBL24754463 0.80 KMT2A (0.60) KMT2AALDH1A1TP53TSHRNR1H4
SCHEMBL7314826 0.80 KMT2A (0.71) KMT2AALDH1A1TSHRNR1H4EPHX2
SCHEMBL1402894 0.80 KMT2A (0.60) KMT2AALDH1A1IDO1TP53TSHR
SCHEMBL249385 0.80 KMT2A (0.66) KMT2AALDH1A1THRBTP53TSHR
SCHEMBL4745543 0.78 ALDH1A1 (0.72) KMT2AALDH1A1TSHRNR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 US claimed
US-6455589-B1 AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-24 US claimed
US-5660974-A EXPOSING, DEVELOPING EASTMAN KODAK COMPANY (US) 1997-08-26 US claimed
WO-2011087211-A3 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID 주식회사 네이퓨 (KR) 2011-11-17 WO disclosed
WO-2011087211-A2 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID 주식회사 네이퓨 (KR) 2011-07-21 WO disclosed
US-5660974-A EXPOSING, DEVELOPING EASTMAN KODAK COMPANY (US) 1997-08-26 US disclosed