SCHEMBL7091667

SCHEMBL7091667

CC1=C(N)Nc2cc(CNC3CCCc4ccccc43)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.42
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PFKFB3 Q16875 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
Hydrochloric Acid SCHEMBL6989619 0.99 PRMT5 (0.50) PRMT5KDM4EALDH1A1KMT2ADHFR
SCHEMBL6991856 0.94 PRMT5 (0.43) PRMT5KDM4EALDH1A1KMT2ADHFR
Hydrochloric Acid SCHEMBL6996290 0.93 PRMT5 (0.43) PRMT5KDM4EALDH1A1KMT2ADHFR
SCHEMBL7001767 0.80 OPRM1 (0.40)
Hydrochloric Acid SCHEMBL7003624 0.79 OPRM1 (0.39) KMT2A
SCHEMBL6988613 0.78 PARP1 (0.58) PRMT5KDM4EALDH1A1KMT2A
SCHEMBL7091666 0.74 PFKFB3 (0.33) PFKFB3
Hydrochloric Acid SCHEMBL6989617 0.73 IDO1 (0.33) PFKFB3
SCHEMBL6253383 0.72 KDM4E (0.58) PRMT5KDM4EALDH1A1KMT2ADHFR
SCHEMBL6999674 0.72 PARP1 (0.60) PRMT5KDM4E

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
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP claimed