SCHEMBL7597100

SCHEMBL7597100

CC(C)(C)c1ccc(Oc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 5/20 0.48
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
AR P10275 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL7600603 0.90 MEN1 (0.47) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL10417341 0.87 KMT2A (0.56) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL7024527 0.86 MAPT (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL7005180 0.84 KMT2A (0.59) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL7251977 0.84 PTGES (0.54) NPSR1MEN1KMT2ANPC1RAB9A
SCHEMBL7171004 0.84 MEN1 (0.53) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL6290062 0.82 POLB (0.52) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL5421861 0.82 POLB (0.58) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29502844 0.82 POLB (0.58) MEN1KMT2ANPC1RAB9AATM
SCHEMBL11310905 0.81 MEN1 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A

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-6476202-B1 5-acylamino-2-arylazo, nitro, or nitroso-4-substituted-phenol compounds and method of using them EASTMAN KODAK COMPANY 2002-11-05 US disclosed