SCHEMBL22663449

SCHEMBL22663449

CNCc1ccc(C(C)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CYP2C19 P33261 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ CSF1R P07333 2/20 0.34
▸ KIT P10721 2/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KCNQ4 P56696 1/20 0.34
▸ KCNQ5 Q9NR82 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL26639786 0.88 KDM1A (0.39) KDM1AMAOAMAOBCYP2C19ADRB2
SCHEMBL297140 0.87 KDM1A (0.50) KDM1AMAOAMAOBCYP2C19CYP3A4
SCHEMBL12266677 0.79 KDM4E (0.41) KDM1AMAOAMAOBKDM4ETRPV4
SCHEMBL30471873 0.79 KDM1A (0.47) KDM1AMAOAMAOBCYP3A4KDM4E
SCHEMBL23545596 0.79 KDM1A (0.47) KDM1AMAOAMAOBCYP3A4KDM4E
SCHEMBL27975333 0.78 TRPV4 (0.35) KDM1AMAOAMAOBKCNQ3KCNQ2
SCHEMBL14552496 0.78 ESR1 (0.41) KDM1AMAOAMAOBCYP2C19CYP3A4
SCHEMBL1743280 0.78 TKT (0.39) KDM1AMAOAMAOBTRPV4
SCHEMBL8927734 0.78 TRPV4 (0.35) KDM1AMAOAMAOBTRPV4
SCHEMBL8190374 0.78 LOXL2 (0.42) KDM1AMAOAMAOBADRB2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738961-A1 HETEROCYCLIC COMPOUND AS CSF-1R INHIBITOR AND USE THEREOF Medshine Discovery Inc. (CN) 2020-11-18 — — EP disclosed
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