SCHEMBL3554001

SCHEMBL3554001

CC(=CC(=O)Nc1cscc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.74
LTB4R Q15722 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
DEGS1 O15121 1/20 0.40
SLC16A3 O15427 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL3554000 1.00 TERT (0.74) TERTLTB4RKDM4EPTPN1SMN1; SMN2
SCHEMBL6786329 0.89 TERT (0.61) TERTLTB4RKDM4EPTPN1LMNA
SCHEMBL30760782 0.85 TERT (1.00) TERTLTB4RKDM4EMEN1KMT2A
SCHEMBL16964998 0.85 TERT (1.00) TERTLTB4RKDM4EMEN1KMT2A
SCHEMBL29355750 0.85 TERT (1.00) TERTLTB4RKDM4EMEN1KMT2A
SCHEMBL6783614 0.85 TERT (0.81) TERTLTB4RKDM4EPTPN1SMN1; SMN2
SCHEMBL29362821 0.85 TERT (1.00) TERTLTB4RKDM4EMEN1KMT2A
SCHEMBL29966843 0.85 TERT (1.00) TERTLTB4RKDM4EMEN1KMT2A
SCHEMBL4022937 0.85 TERT (1.00) TERTLTB4RKDM4EMEN1KMT2A
SCHEMBL6783732 0.83 TERT (0.85) TERTLTB4RKDM4EPTPN1NPC1

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
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US claimed