SCHEMBL18283243

SCHEMBL18283243

Cc1ccc2nc(Cc3cccn4c[c]nc34)cn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.41
RAB9A P51151 11/20 0.41
SMN1; SMN2 Q16637 9/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HSD17B10 Q99714 1/20 0.38
METTL3 Q86U44 4/20 0.37
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5C P41229 1/20 0.35
PAX8 Q06710 1/20 0.35
HTT P42858 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
SCHEMBL18283257 0.72 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL4434358 0.71 GABRA1 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4436859 0.68 NR1I2 (0.33)
SCHEMBL4435508 0.68 PNMT (0.31)
SCHEMBL8174291 0.67 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5982381 0.67 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
Hydrochloric Acid SCHEMBL22499245 0.66 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL13633339 0.66 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL358067 0.66 RAB9A (0.42) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL23530863 0.64 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644996-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2020-05-06 EP disclosed
EP-3645121-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2020-05-06 EP disclosed
WO-2019005980-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-01-03 WO disclosed
WO-2019005993-A1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-01-03 WO disclosed
EP-3310169-A1 METHODS FOR MODULATING RNA SPLICING PTC Therapeutics, Inc. (US) 2018-04-25 EP disclosed
WO-2016196386-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2016-12-08 WO disclosed