SCHEMBL9875440

SCHEMBL9875440

CC(C)(C)C(=O)Nc1nc2ccc3cc(Br)c([N+](=O)[O-])cc3c2c(=O)[nH]1.CC(C)(C)C(=O)Nc1nc2ccc3ccc(N)cc3c2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 19/20 0.60
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6650039 0.94 TYMS (0.61) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6652207 0.86 TYMS (0.57) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6650779 0.78 TYMS (0.62) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6650191 0.76 TYMS (1.00) TYMS
SCHEMBL6650227 0.76 TYMS (0.59) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6447534 0.75 TYMS (0.56) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6455693 0.74 TYMS (0.46) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6647960 0.73 TYMS (0.58) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6649923 0.72 TYMS (0.59) TYMSALDH1A1HPGDSMN1; SMN2
SCHEMBL6842333 0.72 TYMS (1.00) TYMS

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
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO disclosed