SCHEMBL10692338

SCHEMBL10692338

Cc1ccccc1CNc1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CHRM2 P08172 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
APP P05067 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL10686619 0.85 MAPT (0.44) MAPTCA12CA1CA2CA9
SCHEMBL11510867 0.80 MAPT (0.68) MAPTCHRM2CA12CA1CA2
SCHEMBL11080258 0.80 MAPT (0.52) MAPTCHRM2KMT2AGAAHPGD
SCHEMBL10687660 0.80 MAPT (0.50) MAPTCHRM2CA12CA1CA2
SCHEMBL13616379 0.80 MAP4K4 (0.45) MAPTCHRM2NPC1RAB9AKMT2A
SCHEMBL6924151 0.78 FFAR1 (0.58) APPRAB9AKMT2AALDH1A1BRD4
SCHEMBL15497176 0.77 MEN1 (0.64) MAPTCHRM2NPC1RAB9AKMT2A
SCHEMBL20546814 0.77 CYP2A6 (0.46) MAPTCHRM2RAB9AHPGDALDH1A1
SCHEMBL28660124 0.76 GAA (0.46) MAPTAPPRAB9AKMT2AGAA
SCHEMBL9843369 0.76 FFAR1 (0.36) MAPTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
US-4494989-A PRESSURE SENSITIVE CARBONLESS DUPLICATING OR THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-01-22 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed