SCHEMBL9788299

SCHEMBL9788299

O=C(O)c1c(Cc2ccccc2)n(-c2ccc(F)cc2)ncc1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NR4A3 Q92570 1/20 0.42
MAPK1 P28482 1/20 0.42
SMO Q99835 1/20 0.41
PTPN1 P18031 2/20 0.40

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
SCHEMBL9788337 0.91 NR4A3 (0.50) MAPK14SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL10714947 0.79 KMT2A (0.41) MAPK14SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL10813419 0.79 RAB9A (0.46) MAPK14SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL9788273 0.76 NR4A3 (0.67) MAPK14SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL9788259 0.76 CCNE2 (0.41) MAPK14SMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL9788253 0.74 NR4A3 (0.56) MAPK14RAB9AALDH1A1LMNAMAPT
SCHEMBL9788312 0.72 RAB9A (0.40) RAB9AALDH1A1L3MBTL1NPC1LMNA
SCHEMBL9788244 0.72 NR4A3 (0.53) MAPK14SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL9005834 0.71 NR4A3 (0.52) SMN1; SMN2RAB9AALDH1A1L3MBTL1NPC1
SCHEMBL122191 0.70 NR4A3 (0.51) SMN1; SMN2RAB9AALDH1A1NPC1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed