SCHEMBL8938531

SCHEMBL8938531

ClCc1cc(-c2ccccn2)no1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
RAB9A P51151 11/20 0.42
NPC1 O15118 10/20 0.42
SMN1; SMN2 Q16637 9/20 0.42
TP53 P04637 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
PKM P14618 4/20 0.42

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
SCHEMBL2120922 0.83 NOTUM (0.62) CA12CA9KDM4ECCR1CCR5
SCHEMBL31434715 0.83 NOTUM (0.62) CA12CA9KDM4ECCR1CCR5
SCHEMBL26527466 0.83 CA12 (0.49) CA12CA9KDM4ECCR1CCR5
SCHEMBL9901587 0.83 CA12 (0.49) CA12CA9KDM4ECCR1CCR5
SCHEMBL1314692 0.83 NOTUM (0.62) CA12CA9KDM4ECCR1CCR5
SCHEMBL9902305 0.80 CA12 (0.47) CA12CA9KDM4ECCR1CCR5
SCHEMBL9901314 0.80 CA12 (0.47) CA12CA9KDM4ECCR1CCR5
SCHEMBL6705331 0.79 CA12 (0.49) CA12CA9KDM4ECCR1CCR5
SCHEMBL15142095 0.79 CA12 (0.46) CA12CA9KDM4ECCR1CCR5
SCHEMBL6705332 0.79 CA12 (0.46) CA12CA9KDM4ECCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed
US-5541185-A KILLING MOLLUSCIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
EP-0377892-B1 3(2H)-pyridazinone derivatives, preparation thereof and their use as pesticides BASF AG (DE) 1994-09-14 EP disclosed
EP-0365833-B1 Cyclohexene derivatives BASF AG (DE) 1994-07-06 EP disclosed
US-5201935-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5034047-A Oxime derivatives of cyclohexenone substituted with nitrogen containing heterocycles BASF AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0377892-A1 3(2H)-pyridazinone derivatives, preparation thereof and their use as pesticides BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed
EP-0365833-A2 Cyclohexene derivatives BASF Aktiengesellschaft (DE) 1990-05-02 EP disclosed