SCHEMBL9655337

SCHEMBL9655337

Cc1ccc([N+](=O)[O-])cc1OCCCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP3A4 P08684 3/20 0.47
CYP19A1 P11511 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 2/20 0.45
S1PR4 O95977 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9220403 0.85 MAPT (0.52) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL27630962 0.84 CYP19A1 (0.55) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL11820701 0.84 ALDH1A1 (0.51) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL16943506 0.84 ALDH1A1 (0.53) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL16063141 0.84 ALDH1A1 (0.51) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL13788938 0.83 MAPT (0.56) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL89210 0.83 MAPT (0.55) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL985801 0.83 MAPT (0.61) MAPTALDH1A1TDP1CYP3A4CYP19A1
SCHEMBL29897293 0.83 MAPT (0.61) MAPTALDH1A1TDP1CYP3A4CYP19A1
SCHEMBL2086989 0.83 MAPT (0.61) MAPTALDH1A1TDP1CYP3A4CYP19A1

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
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed