SCHEMBL30943187

SCHEMBL30943187

Cc1ccccc1-c1nc2ccc(NC(=O)NCc3ccncc3)cc2o1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.75
▸ RAB9A P51151 3/20 0.53
▸ TP53 P04637 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ IMPDH2 P12268 1/20 0.47

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
SCHEMBL23320431 1.00 NAMPT (0.75) NAMPTRAB9ATP53MAPTNPC1
SCHEMBL23320381 0.86 NAMPT (1.00) NAMPTRAB9AMAPTNPC1HTT
SCHEMBL23320510 0.78 NAMPT (0.71) NAMPTRAB9ANPC1ALDH1A1
SCHEMBL23320437 0.78 NAMPT (0.65) NAMPTRAB9AHTTALDH1A1
SCHEMBL23320408 0.78 NAMPT (0.84) NAMPTRAB9ATP53MAPTNPC1
SCHEMBL23320402 0.76 NAMPT (0.81) NAMPTRAB9AMAPTNPC1ALDH1A1
SCHEMBL3207366 0.75 MAPT (0.55) RAB9ATP53MAPTNPC1ALDH1A1
SCHEMBL11713731 0.72 IMPDH2 (0.74) NAMPTRAB9AHTTALDH1A1IMPDH2
SCHEMBL27188684 0.72 MAPT (0.75) RAB9ATP53MAPTNPC1ALDH1A1
SCHEMBL14626708 0.71 TP53 (0.53) RAB9ATP53MAPTNPC1ALDH1A1

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
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
Send feedback