SCHEMBL21549963

SCHEMBL21549963

C=CCC(C)Nc1nccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PKM P14618 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FASN P49327 1/20 0.35
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL15185771 0.80 DHODH (0.45) NPSR1NPC1SMN1; SMN2PKMRAB9A
SCHEMBL14030746 0.76 MAPK14 (0.50) NPSR1NPC1SMN1; SMN2PKMRAB9A
SCHEMBL91488 0.76 HRH4 (0.50) NPSR1NPC1SMN1; SMN2PKMRAB9A
SCHEMBL91471 0.70 MAPK14 (0.39) NPSR1NPC1RAB9AMAPTCYP2C9
SCHEMBL91474 0.70 MAPK14 (0.41) NPSR1NPC1SMN1; SMN2RAB9ATP53
SCHEMBL91405 0.68 HRH4 (0.55) NPSR1NPC1SMN1; SMN2PKMRAB9A
SCHEMBL14629467 0.68 HTR7 (0.57) MAPK14
SCHEMBL22201928 0.66 ALDH1A1 (0.47) SMN1; SMN2TP53MAPTLMNAALOX15
SCHEMBL13218581 0.66 HRH4 (0.43) NPSR1NPC1SMN1; SMN2PKMRAB9A
SCHEMBL91468 0.66 HRH4 (0.46) NPSR1SMN1; SMN2MAPTCYP2C9LMNA

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-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed