SCHEMBL9819650

SCHEMBL9819650

CC(=O)Nc1ccc(OCCBr)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MAPT P10636 10/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
MAPK1 P28482 4/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 4/20 0.52
CYP1A2 P05177 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL11406573 0.92 KMT2A (0.59) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL11659558 0.88 MAPT (0.64) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL8346764 0.87 KMT2A (0.54) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL11839817 0.86 MAPT (0.64) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL11235710 0.86 RAB9A (0.66) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL11295618 0.85 MAPT (0.68) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL11631142 0.85 KMT2A (0.58) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL11842489 0.85 MAPT (0.65) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL16742373 0.85 MAPT (0.60) KMT2AMAPTNPSR1RAB9ANPC1
SCHEMBL18109932 0.85 KMT2A (0.52) KMT2AMAPTNPSR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5009880-A Mixture of an anionic and cationic polymer for shampoos, skin lotions, nail strengtheners and hair dyeing; improved fixing and anchoring; smoothness; gloss L'OREAL (FR) 1991-04-23 US disclosed
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 US disclosed
US-4445521-A ANIONIC AND CATIONIC POLYMER COMBINATION L'OREAL (FR) 1984-05-01 US disclosed
US-4240450-A HAIR CONDITIONER OF ANIONIC POLYMERS AND CATIONIC POLYMERS L'OREAL (FR) 1980-12-23 US disclosed
US-3993768-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-11-23 US disclosed