SCHEMBL8134237

SCHEMBL8134237

CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(NC(C)=O)CCS3)c1O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAT2A P31153 3/20 0.31
POLB P06746 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
SCHEMBL8940911 0.83 RAB9A (0.31) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8941039 0.82 PDE4B (0.32) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8130838 0.81 TNF (0.32) TNFNOD1RAB9ASMN1; SMN2LMNA
SCHEMBL8131410 0.76 MEN1 (0.37) LMNAALDH1A1POLB
SCHEMBL6721329 0.76 LMNA (0.34) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8895824 0.75 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8455943 0.75 RAB9A (0.32) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8123433 0.75 RAB9A (0.33) RAB9ASMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8871769 0.72 KDM4E (0.31) RAB9ASMN1; SMN2LMNA
SCHEMBL8871773 0.72 KDM4E (0.31) RAB9ASMN1; SMN2LMNA

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
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed