SCHEMBL4439963

SCHEMBL4439963

CCc1ccc(Cl)c(-c2cc(C)[c]cc2C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
PYCR1 P32322 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
S1PR1 P21453 1/20 0.30
HTR1A P08908 2/20 0.30
HTR2C P28335 2/20 0.30
HTR7 P34969 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL3664944 0.83 RAPGEF4 (0.35) IDO1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL5086384 0.79 ALDH1A1 (0.33) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL4439962 0.76 MEN1 (0.34) IDO1KDM4EMEN1NPC1ALDH1A1
SCHEMBL257060 0.72 IDO1 (0.61) IDO1PYCR1LMNAS1PR1RAPGEF4
SCHEMBL257057 0.69 DAO (0.48) IDO1PYCR1LMNAPDK2
SCHEMBL5089186 0.68 CETP (0.32) MAPTLMNAHTR2A
SCHEMBL5086382 0.68 ALDH1A1 (0.33) KDM4EMEN1NPC1ALDH1A1TP53
SCHEMBL7471001 0.67 RAPGEF4 (0.37) IDO1PYCR1LMNAHSD11B1RAPGEF4
SCHEMBL3410624 0.67 NOTUM (0.43)
SCHEMBL3411260 0.67 PDE2A (0.36) IDO1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed