SCHEMBL8303859

SCHEMBL8303859

FC(F)(F)c1cc(-c2c[c]ncn2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ KMO O15229 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ SOD1 P00441 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL6184163 0.83 KMO (0.52) KDM1AKMOCTSSCTSKTDP1
SCHEMBL16538344 0.82 KIF11 (0.42) KDM1AABL1BCR
SCHEMBL28074640 0.72 NPSR1 (0.40) KDM1AKDM4EALDH1A1
SCHEMBL28242166 0.72 CYP11B2 (0.47) KMO
SCHEMBL3998445 0.71 SMN1; SMN2 (0.38) KDM1AKMOCTSSCTSKF2RL3
SCHEMBL28074571 0.71 TRPV4 (0.42) ABL1BCR
SCHEMBL1202858 0.68 RAB9A (0.36) KDM4EALDH1A1
SCHEMBL28074503 0.68 SCN5A (0.43) ABL1BCRKDM4EALDH1A1
SCHEMBL28790265 0.67 KMO (0.49) KMOKDM4E
SCHEMBL28242134 0.66 FAAH (0.46) KMOCTSKABL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937051-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1999-08-25 — — EP disclosed
WO-1998020003-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-14 — — WO disclosed
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