SCHEMBL7875010

SCHEMBL7875010

Clc1[c]c2ncc(Cl)cc2cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A6 P11509 1/20 0.31
MET P08581 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
SCHEMBL9724437 0.81 CCR1 (0.48) NOS1CYP2A6
SCHEMBL4401093 0.71 CYP2A6 (0.34) NOS1LMNACYP2C9TSHRAPEX1
SCHEMBL9381631 0.69 LMNA (0.43) LMNATSHRAPEX1SMN1; SMN2
SCHEMBL4989159 0.69 CCR1 (0.52) NOS1DYRK1ALMNACYP2C9TSHR
SCHEMBL30117375 0.69 CCR1 (0.52) NOS1DYRK1ALMNACYP2C9TSHR
SCHEMBL4397001 0.68 NOS1 (0.32) NOS1LMNACYP2C9TSHRAPEX1
SCHEMBL5142985 0.66 CYP2A6 (0.46) NOS1DYRK1ALMNATSHRSMN1; SMN2
SCHEMBL30702581 0.64 PDGFRB (0.59) NOS1DYRK1ALMNACYP2A6
SCHEMBL7157574 0.64 PDGFRB (0.59) NOS1DYRK1ALMNACYP2A6
SCHEMBL28777985 0.63 NOS1 (0.39) NOS1DYRK1ALMNACYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
US-5123952-A Postemergence herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed
US-4734121-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
US-4668275-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
EP-0107156-B1 CYCLOHEXANE-1,3-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE CONTROL OF UNDESIRABLE PLANT GROWTH BASF Aktiengesellschaft (DE) 1986-12-30 EP disclosed
EP-0107156-A1 Cyclohexane-1,3-dione derivatives, process for their preparation and their use in the control of undesirable plant growth BASF Aktiengesellschaft (DE) 1984-05-02 EP disclosed