SCHEMBL8530662

SCHEMBL8530662

COC(=O)c1ccc2[nH]cc(Cc3ccccc3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.79
NPC1 O15118 1/20 0.53
CDK2 P24941 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SNCA P37840 3/20 0.51
NR4A2 P43354 1/20 0.48
ACHE P22303 1/20 0.48
TRPV1 Q8NER1 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
SCHEMBL29871648 0.89 GPR84 (0.87) GPR84NPC1CDK2MEN1KMT2A
SCHEMBL24100148 0.88 GPR84 (1.00) GPR84NPC1CDK2MEN1KMT2A
SCHEMBL31744889 0.88 GPR84 (0.68) GPR84NPC1MEN1KMT2ASNCA
SCHEMBL31744725 0.87 GPR84 (0.67) GPR84KMT2ASNCANR4A2ACHE
SCHEMBL2884867 0.84 GPR84 (0.74) GPR84NPC1CDK2MEN1KMT2A
SCHEMBL22554662 0.84 GPR84 (0.73) GPR84NPC1CDK2MEN1KMT2A
SCHEMBL8530246 0.83 GPR84 (0.65) GPR84CDK2MEN1KMT2ASNCA
SCHEMBL2161423 0.82 GPR84 (0.76) GPR84NPC1CDK2MEN1KMT2A
SCHEMBL2161735 0.81 GPR84 (0.70) GPR84NPC1CDK2MEN1KMT2A
SCHEMBL8528458 0.81 GPR84 (0.73) GPR84NPC1MEN1KMT2ASNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed