SCHEMBL10463588

SCHEMBL10463588

O=C(O)c1ccc2c3c([N+](=O)[O-])cc(C(=O)O)c4c(C(=O)O)ccc(c5c([N+](=O)[O-])cc(C(=O)O)c1c25)c43

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ DTYMK P23919 1/20 0.45
▸ TSHR P16473 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ LMNA P02545 1/20 0.39
▸ DNA2 P51530 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CES2 O00748 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
SCHEMBL28638357 0.81 CDK2 (0.56) CDK2DTYMKTSHRALDH1A1CYP3A4
SCHEMBL11440939 0.78 CYP1A2 (0.58) CDK2CYP1A2DTYMKTSHRALDH1A1
SCHEMBL11420009 0.74 ALDH1A1 (0.47) CDK2CYP1A2DTYMKTSHRALDH1A1
SCHEMBL28645723 0.74 CDK2 (0.49) CDK2CYP1A2DTYMKTSHRALDH1A1
SCHEMBL11697530 0.73 DTYMK (0.60) DTYMKTSHRALDH1A1CYP3A4ALOX15
SCHEMBL772640 0.73 CASP6 (0.57) DTYMKTSHRALDH1A1CYP3A4ALOX15
SCHEMBL11429697 0.73 DTYMK (0.45) CDK2CYP1A2DTYMKTSHRALDH1A1
SCHEMBL11422869 0.72 CDK2 (0.50) CDK2DTYMKTSHRALDH1A1CYP3A4
SCHEMBL148218 0.72 CYP1A2 (0.54) CYP1A2TSHRALDH1A1TDP1MEN1
SCHEMBL28666817 0.72 CYP1A2 (0.54) CYP1A2TSHRALDH1A1ALOX15TDP1

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-4937164-A AS PHOTOGENERATOR WITH CHARGE TRANSPORT LAYER XEROX CORPORATION (US) 1990-06-26 — — US disclosed
Send feedback