SCHEMBL9827140

SCHEMBL9827140

Cc1c([N+](=O)[O-])ccc(O)c1NC(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 3/20 0.39
KCNMA1 Q12791 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL11666580 0.87 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1CYP2C9
SCHEMBL7223666 0.82 SMN1; SMN2 (0.41) ALDH1A1LMNAKMT2AMEN1CYP2C9
SCHEMBL6607470 0.82 CTSB (0.45) MAOBALDH1A1LMNAKMT2AMEN1
SCHEMBL2821496 0.79 LMNA (0.43) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL11227724 0.75 KCNMA1 (0.58) ALDH1A1LMNAKMT2AMEN1CYP2C9
SCHEMBL11103298 0.75 MEN1 (0.51) ALDH1A1LMNAKMT2AMEN1CYP2C9
SCHEMBL22587352 0.72 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL11525238 0.72 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL29559580 0.72 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4942521 0.71 MEN1 (0.48) MAOBALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226072-B1 OXIDATION DYE CONTAINING 4-AMINO-2-AMINOMETHYL PHENOL Wella Aktiengesellschaft (DE) 1991-04-10 EP disclosed
US-4797130-A DYE DEVELOPERS GOOD FOR RED COLORING WELLA AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
EP-0226072-A1 Oxidation dye containing 4-amino-2-aminomethyl phenol Wella Aktiengesellschaft (DE) 1987-06-24 EP disclosed