SCHEMBL16627771

SCHEMBL16627771

O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2n(CCc2ccc(I)cc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.40
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.39
HTR2A P28223 1/20 0.39
HTR4 Q13639 1/20 0.39
P2RX4 Q99571 1/20 0.39
PPARG P37231 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
SCHEMBL16627769 0.91 CNR1 (0.47) SMN1; SMN2MEN1KMT2AADORA2ACNR1
SCHEMBL16627772 0.82 RAB9A (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL16627775 0.76 CNR1 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL16627882 0.75 KMT2A (0.43) SMN1; SMN2MEN1KMT2AMAPTADORA2A
SCHEMBL7423428 0.72 CCR2 (0.56) ALDH1A1
SCHEMBL27837246 0.71 CCR2 (0.52) ALDH1A1MAPTP2RX4
SCHEMBL34468871 0.70 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL16627883 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCNR1CNR2HTR4
SCHEMBL11437411 0.69 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL16236935 0.68 MAOB (0.55) SMN1; SMN2MEN1KMT2AALDH1A1CNR1

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed