SCHEMBL11436009

SCHEMBL11436009

Cc1ccc2cccnc2c1C(=O)Nc1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDR P35968 4/20 0.41
▸ POLB P06746 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL9501879 0.80 NPC1 (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11428444 0.77 NPC1 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL10937760 0.77 KIT (0.45) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL10878740 0.74 JAK1 (0.40) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL11435882 0.74 PARP1 (0.51) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL10935762 0.74 CBLB (0.38) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL11430775 0.73 HSP90AA1 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11430231 0.72 LMNA (0.56) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11431754 0.72 MAPT (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11436996 0.72 KDR (0.46) NPC1RAB9ACASP3SENP8SENP7

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-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 — — US disclosed
US-4147694-A ANTIALLERGENS, ANTIHISTAMINES RIKER LABORATORIES, INC. (US) 1979-04-03 — — US disclosed
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