SCHEMBL14060078

SCHEMBL14060078

Clc1ccccc1-c1c[c]cc(N2CCSCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CNR2 P34972 3/20 0.40
▸ CYP2A13 Q16696 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ LGMN Q99538 1/20 0.35
▸ PIK3C3 Q8NEB9 2/20 0.34
▸ PRKDC P78527 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL14060017 0.86 ALDH1A1 (0.40) CNR2CYP2A6PIK3C3LMNAALDH1A1
SCHEMBL27953793 0.83 CNR2 (0.52) MEN1KMT2ACNR2PIK3C3LMNA
SCHEMBL14059902 0.83 CYP1A2 (0.47) CNR2PIK3C3LMNACYP1A2CYP2C19
SCHEMBL14060873 0.81 AR (0.38) CNR2CYP2A6PIK3C3LMNAALDH1A1
SCHEMBL5924613 0.75 CYP2A6 (0.56) CYP2A6LMNAALDH1A1TSHR
SCHEMBL27943401 0.72 HRH3 (0.41) CNR2POLB
SCHEMBL28809740 0.69 NOTUM (0.44) MEN1KMT2ACYP2A6LMNAALDH1A1
SCHEMBL28810623 0.69 CYP3A4 (0.47) MEN1KMT2ACYP2A6LMNACYP1A2
SCHEMBL27943380 0.68 CNR2 (0.50) MEN1KMT2ACNR2CYP2A13PIK3C3
SCHEMBL27943408 0.68 DRD2 (0.45) CYP1A2CYP2C19ALDH1A1CYP2D6TSHR

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-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
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 — — EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 — — WO disclosed
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