SCHEMBL956335

SCHEMBL956335

CCCCC(=O)Nc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL26318663 0.90 SOAT2 (0.58) HPGDSMN1; SMN2USP2TSHRNPSR1
SCHEMBL950001 0.88 CYP3A4 (0.60) HPGDSMN1; SMN2USP2KDM4EMAPT
SCHEMBL949484 0.82 SMN1; SMN2 (0.42) HPGDSMN1; SMN2USP2TSHRNPSR1
Tazanolast SCHEMBL28495 0.82 HPGD (0.45) HPGDSMN1; SMN2USP2TSHRNPSR1
SCHEMBL6694019 0.81 MAPT (0.59) HPGDSMN1; SMN2TSHRKDM4EMAPT
SCHEMBL22167182 0.81 MGLL (0.54) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL28569542 0.81 RAB9A (0.51) HPGDSMN1; SMN2KDM4EMAPTLMNA
SCHEMBL20777974 0.81 RAB9A (0.51) HPGDSMN1; SMN2KDM4EMAPTLMNA
SCHEMBL9314587 0.79 MGLL (0.45) HPGDSMN1; SMN2TSHRKDM4EMAPT
SCHEMBL954665 0.79 KDM4E (0.41) KDM4EMAPTLMNAALDH1A1TP53

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed