SCHEMBL27943382

SCHEMBL27943382

FC1(F)CCN(c2c[c]cc(-c3c(Cl)cccc3Cl)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ MAOB P27338 1/20 0.33
▸ USP2 O75604 4/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.30

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
SCHEMBL27943399 0.85 CREBBP (0.38) CNR2USP2HSD17B10ALDH1A1CYP3A4
SCHEMBL27943380 0.81 CNR2 (0.50) CNR2ALDH1A1CYP1A2TSHRHPGD
SCHEMBL27943408 0.81 DRD2 (0.45) ALDH1A1CYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL27943391 0.78 AR (0.39) ALDH1A1SMN1; SMN2LRRK2
SCHEMBL27943552 0.72 PKM (0.36) CYP3A4CYP1A2TP53CYP2D6SMN1; SMN2
SCHEMBL2184950 0.70 ADRB2 (0.35) —
SCHEMBL14060017 0.68 ALDH1A1 (0.40) CNR2MAOBALDH1A1MAPK1HPGD
SCHEMBL27953743 0.67 SLC6A4 (0.45) CYP3A4CYP1A2TP53CYP2D6
SCHEMBL14060813 0.67 MAP4K1 (0.43) —
SCHEMBL14060078 0.66 MEN1 (0.43) CNR2USP2HSD17B10ALDH1A1CYP3A4

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
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 — — CN claimed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 — — CN disclosed
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