SCHEMBL7842848

SCHEMBL7842848

CCn1ncc(C(=O)c2cc(C)c3c(c2Cl)C(C)(C)CCS3(=O)=O)c1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
NR3C1 P04150 4/20 0.31
PGR P06401 1/20 0.31
PDE4B Q07343 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 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
SCHEMBL6721441 0.91 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AMEN1HPGDKMT2A
SCHEMBL6728637 0.87 SPR (0.31)
SCHEMBL6732599 0.81 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AMEN1HPGDKMT2A
SCHEMBL8135585 0.80 RAB9A (0.35) SMN1; SMN2RAB9ALMNANR3C1PGR
SCHEMBL8459595 0.79 RAB9A (0.32) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL8014294 0.79 RAB9A (0.32) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL8014291 0.79 RAB9A (0.32) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL6721484 0.78 SPR (0.31)
SCHEMBL6732608 0.77
SCHEMBL8522701 0.77

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-0712853-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 2001-02-28 EP disclosed
EP-0712853-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-05-22 EP disclosed