SCHEMBL9258018

SCHEMBL9258018

Cc1ccc2c(c1)n1cc(-c3ccccc3)nc1n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBD2 Q9UBB5 1/20 0.51
ADORA3 P0DMS8 1/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL9266950 0.86 MBD2 (0.46) MBD2RAB9ANPC1
SCHEMBL9257171 0.85 MBD2 (0.50) MBD2KDM4EALDH1A1HPGDKMT2A
SCHEMBL9262702 0.84 MBD2 (0.50) MBD2KDM4EALDH1A1HPGDTP53
SCHEMBL9268169 0.83 MBD2 (0.66) MBD2KDM4EALDH1A1HPGDKMT2A
SCHEMBL17401365 0.73 KDM4E (0.55) KDM4EALDH1A1HPGDGFER
SCHEMBL13394327 0.73 MBD2 (0.64) MBD2KDM4EALDH1A1HPGDTP53
SCHEMBL24106082 0.71 LMNA (0.70) ALDH1A1TP53TSHRRAB9ASMN1; SMN2
SCHEMBL20798562 0.70 MBD2 (0.60) MBD2KDM4EALDH1A1HPGDKMT2A
SCHEMBL17401375 0.69 ALDH1A1 (0.44) MBD2KDM4EALDH1A1HPGDKMT2A
SCHEMBL13390176 0.68 MBD2 (1.00) MBD2ALDH1A1KMT2ARAB9ASMN1; SMN2

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-5466706-A Compounds for hypnotics, anxiety or anticonvulsants SYNTHELABO (FR) 1995-11-14 US disclosed
EP-0607076-A1 9H-Imidazo 1,2-a benzimidazole derivatives with GABA activity SYNTHELABO (FR) 1994-07-20 EP disclosed