SCHEMBL8897533

SCHEMBL8897533

Cn1c(C(F)(F)F)cc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.38
▸ HSD11B1 P28845 3/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL8899522 0.86 RXFP1 (0.43) HSD11B1TP53IDH1HTTKDM4E
SCHEMBL8898917 0.76 KMT2A (0.48) KDM4EALDH1A1HPGDMAPT
SCHEMBL12320518 0.74 KIF11 (0.36) —
SCHEMBL12320558 0.74 KIF11 (0.36) —
SCHEMBL28365266 0.73 TDP2 (0.47) MAT2AL3MBTL1LMNA
SCHEMBL30790937 0.73 KDM4E (0.42) KDM4EPDK2
SCHEMBL10222171 0.73 PSMB8 (0.42) PSMB8HSD11B1MAT2ACDC7CDK2
SCHEMBL8899305 0.72 PSMB8 (0.41) PSMB8HSD11B1MAT2ACDC7CDK2
SCHEMBL1605081 0.70 FYN (0.41) IDH1HTTLMNA
SCHEMBL12320516 0.69 CYP2A6 (0.35) HSD11B1CDK2

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
CN-1143636-A Indoles as insecticides and acaricides AMERICAN CYANAMID CO (US) 1997-02-26 — — CN disclosed
US-5599832-A INDOLES SUBSTITUTED WITH GROUPS BOTH ELECTRON WITHDRAWING AND LIPOPHILIC; GROWING, HARVESTING AND STORAGE OF CROPS AMERICAN CYANAMID COMPANY (US) 1997-02-04 — — US disclosed
US-5502071-A PLANTS AMERICAN CYANAMID COMPANY (US) 1996-03-26 — — US disclosed
EP-0697172-A1 Indoles as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1996-02-21 — — EP disclosed
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