SCHEMBL18155181

SCHEMBL18155181

Cc1cccc(NC(=O)C2C[C@H](C(C)C)CN2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ KCNK3 O14649 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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
SCHEMBL14769622 1.00 NPSR1 (0.51) NPSR1NPC1RAB9ATP53POLB
SCHEMBL18155184 0.85 ESR1 (0.54) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL22251644 0.85 ESR1 (0.54) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL14769640 0.85 ESR1 (0.54) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL18591277 0.77 NPSR1 (0.64) NPSR1NPC1RAB9ATP53POLB
SCHEMBL18710627 0.76 ESR1 (0.52) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL259126 0.75 NPSR1 (0.55) NPSR1NPC1RAB9ATP53POLB
SCHEMBL28401935 0.75 NPSR1 (0.57) NPSR1NPC1RAB9ATP53POLB
SCHEMBL31122583 0.74 NPSR1 (0.63) NPSR1NPC1RAB9AHSD17B10LMNA
SCHEMBL10326684 0.74 NPSR1 (0.63) NPSR1NPC1RAB9AHSD17B10LMNA

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-9469861-B2 Cell-free preparation of carbapenems GREENLIGHT BIOSCIENCES, INC. (US) 2016-10-18 — — US disclosed
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