SCHEMBL6994032

SCHEMBL6994032

CC1=C(N)Nc2cc(CNCc3ccc(F)cc3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PARP1 P09874 2/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM2 P08172 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL6996205 0.99 PARP1 (0.41) LMNAPARP1MEN1KMT2AMAPT
SCHEMBL7002250 0.89 PARP1 (0.42) PARP1MAPK1PDGFRBKDRL3MBTL1
Hydrochloric Acid SCHEMBL6999676 0.88 PARP1 (0.43) PARP1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7000763 0.88 PARP1 (0.43) LMNAPARP1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7001196 0.88 PARP1 (0.41) PARP1PDGFRBKDRL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7713373 0.87 PARP1 (0.53) PARP1MEN1KMT2APDGFRBKDR
SCHEMBL6993345 0.87 PARP1 (0.42) LMNAPARP1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6310054 0.87 PARP1 (0.42) PARP1MEN1KMT2A
Hydrochloric Acid SCHEMBL6996685 0.86 PARP1 (0.41) LMNAPARP1MEN1KMT2AMAPT
SCHEMBL6999827 0.85 NOS1 (0.46) PARP1MAPTL3MBTL1ALDH1A1

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