SCHEMBL11281995

SCHEMBL11281995

CCN1C(=O)C(=C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)C(=O)N(CC)C1=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ HPGD P15428 5/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ATM Q13315 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL11281553 0.95 ALDH1A1 (0.48) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11277546 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11277549 0.79 ALDH1A1 (0.44) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11283557 0.77 SLC6A3 (0.40) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11159359 0.77 MAPT (0.40) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11282680 0.77 CES2 (0.49) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11142869 0.76 MAPT (0.51) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11282926 0.75 PRKAG1 (0.54) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11290112 0.75 MDM2 (0.46) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL11282000 0.74 SLC6A2 (0.41) ALDH1A1HPGDKMT2AESR1CYP19A1

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-4349618-A 5-DIPHENYLMETHYLENE- OR 5-(FLUOREN-9-YLIDENE) THIOBARBITURIC ACID AND DERIVATIVES AS SENSITIZERS FOR N-VVINYLCARBAZOLE POLYMERS; ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 — — US claimed
US-4349618-A 5-DIPHENYLMETHYLENE- OR 5-(FLUOREN-9-YLIDENE) THIOBARBITURIC ACID AND DERIVATIVES AS SENSITIZERS FOR N-VVINYLCARBAZOLE POLYMERS; ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 — — US disclosed
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