SCHEMBL20041726

SCHEMBL20041726

CCCCCCCc1ncc(CCCC)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.49
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
PTGS2 P35354 4/20 0.44
CYP3A4 P08684 3/20 0.44
ESR1 P03372 2/20 0.44

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
SCHEMBL28055917 0.98 RARB (0.50) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6417146 0.96 RARB (0.47) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL16706000 0.88 RARB (0.49) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10823984 0.87 RARB (0.57) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL25801708 0.84 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21534045 0.83 NFKB1 (0.46) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12186163 0.81 RARB (0.50) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12186156 0.81 RARB (0.50) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL19185731 0.81 KCNH2 (0.41) RARBMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20041788 0.81 KCNH2 (0.41) RARBMAPTRAB9ASMN1; SMN2NPC1

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-2509955-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS S A (CH) 2018-04-25 EP disclosed
EP-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 EP disclosed