SCHEMBL11020599

SCHEMBL11020599

CCCc1nc2c(-c3ccccc3F)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SI P14410 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ HPGD P15428 1/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DHODH Q02127 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL8818793 0.82 ADORA3 (0.51) CNR2ADORA3ADORA2AADORA1
SCHEMBL14959118 0.77 MGAM (0.59) MGAMGAASIMGAM2PARP1
SCHEMBL6810627 0.76 POLB (0.43) PARP1ALDH1A1POLB
SCHEMBL1917210 0.75 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10397230 0.74 PDE10A (0.57) MGAMGAASIMGAM2DDAH1
SCHEMBL7964155 0.74 CHEK1 (0.58) GAAPARP1L3MBTL1DDAH1POLB
SCHEMBL9754832 0.74 ALDH1A1 (0.46) ALDH1A1ADORA3ADORA2AADORA1DDAH1
SCHEMBL1917492 0.74 PSMB8 (0.49) MGAMGAASIMGAM2HPGD
SCHEMBL4366276 0.74 KMT2A (0.44) HPGDPARP1ALDH1A1DDAH1POLB
SCHEMBL14958589 0.74 GAA (0.51) MGAMGAASIMGAM2HPGD

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
EP-0138750-A1 Process for the production of substituted benzimidazoles CIBA-GEIGY AG (CH) 1985-04-24 — — EP disclosed
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