SCHEMBL11405352

SCHEMBL11405352

Nc1[c]cc([N+](=O)[O-])c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
CYP3A4 P08684 4/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL21000996 0.80 TSHR (0.47) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL596168 0.74 MAPT (0.62) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL19511923 0.74 MAPT (0.62) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL3243151 0.72 MAPT (0.60) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL16357963 0.71 ALDH1A1 (0.43) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL9378154 0.70 MAPT (0.58) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL30393904 0.69 CYP3A4 (0.56) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL1258484 0.69 CYP3A4 (0.56) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL3975452 0.69 MAPT (0.56) TDP1TSHRALDH1A1MAPTCYP3A4
SCHEMBL1028967 0.68 TDP1 (0.50) TDP1TSHRALDH1A1MAPTCYP3A4

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
US-4235773-A Trisazo dyestuffs containing a naphtholamino sulfonic acid component and a phenylcarbonylamino-phenyl component BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 US claimed
US-4235773-A Trisazo dyestuffs containing a naphtholamino sulfonic acid component and a phenylcarbonylamino-phenyl component BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed