SCHEMBL17844162

SCHEMBL17844162

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
CHRM4 P08173 2/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB1 P08588 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CCR2 P41597 6/20 0.39
MAPT P10636 2/20 0.39
LCAT P04180 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 3/20 0.37
FFAR1 O14842 1/20 0.37
SYK P43405 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL17844177 0.87 JAK2 (0.46) KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL17844250 0.86 KAT2B (0.41) HRH3KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL5316660 0.82 METAP1 (0.49) CHRM4KDM4EMAPTCHRM1CHRM3
SCHEMBL17844240 0.81 CHRM4 (0.39) HRH3CHRM4LCATKCNH2
SCHEMBL17844172 0.81 GLS (0.43) KCNH2
SCHEMBL17844219 0.80 CKS1B (0.38) HRH3LCATKCNH2
SCHEMBL5260026 0.79 GPR119 (0.38) LCATKCNH2
SCHEMBL3546550 0.78 LMNA (0.42) KDM4ELCATALDH1A1
SCHEMBL17844164 0.78 KAT2B (0.38)
SCHEMBL17844145 0.78 HRH3 (0.38) HRH3KDM4EMAPTLCATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed