SCHEMBL21925161

SCHEMBL21925161

CCSc1nc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ QRFPR Q96P65 1/20 0.30
▸ AGPAT2 O15120 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ RORC P51449 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
SCHEMBL21925124 0.83 KDM4E (0.37) CYP2C9ALDH1A1LMNAKDM4EMEN1
SCHEMBL17514086 0.82 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30958301 0.82 ALDH1A1 (0.34) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16803688 0.81 POLB (0.37) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL24313893 0.81 AGPAT2 (0.32) AGPAT2POLB
SCHEMBL16612304 0.81 POLB (0.48) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL17832751 0.81 ALDH1A1 (0.35) CYP2C9ALDH1A1LMNAKDM4EGAA
SCHEMBL18819764 0.81 ALDH1A1 (0.35) CYP2C9ALDH1A1LMNAKDM4EGAA
SCHEMBL17432151 0.80 JAK2 (0.34) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL30958296 0.80 CA12 (0.33) CYP2C9ALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
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