SCHEMBL6995764

SCHEMBL6995764

CC1=C(N)Nc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
PARP1 P09874 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.36

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 SCHEMBL6992777 0.99 CHRM2 (0.40) CHRM2PARP1MAPTMEN1KMT2A
SCHEMBL6991287 0.90 KMT2A (0.44) PARP1MAPTMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6997432 0.89 KMT2A (0.44) PARP1MAPTMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL7000763 0.83 PARP1 (0.43) CHRM2PARP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6999676 0.83 PARP1 (0.43) PARP1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL7000628 0.83 PARP1 (0.41) PARP1KMT2ACA12CA1CA2
SCHEMBL6999572 0.83 CA1 (0.46) PARP1MEN1KMT2ACA12CA1
SCHEMBL7001786 0.83 TDP1 (0.46) MAPTMEN1KMT2APOLBTDP1
SCHEMBL6994032 0.82 LMNA (0.42) CHRM2PARP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7713373 0.82 PARP1 (0.53) PARP1MEN1KMT2ACA1CA2

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