SCHEMBL14711447

SCHEMBL14711447

Bc1ccc(-n2cncc2NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ROCK2 O75116 1/20 0.42
MGLL Q99685 2/20 0.41
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.39
CTRB1 P17538 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL14790527 0.88 POLB (0.49) POLBNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL14711284 0.80 LPAR1 (0.48) POLBROCK2MGLL
SCHEMBL14790528 0.79 ROCK2 (0.42) POLBNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL14711391 0.78 LPAR1 (0.42) POLBNPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL12772987 0.69 NPC1 (0.58) POLBNPC1RAB9ASMN1; SMN2MGLL
SCHEMBL16040355 0.68 NPC1 (0.51) POLBNPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL19993034 0.68 POLB (0.70) POLBNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL18109145 0.68 RAB9A (0.60) POLBRAB9ASMN1; SMN2ROCK2TP53
SCHEMBL6557730 0.67 NPC1 (0.49) POLBNPC1RAB9AP2RX7SMN1; SMN2
Benzyl Phenylcarbamate SCHEMBL1222943 0.67 POLB (0.78) POLBNPC1RAB9ASMN1; SMN2ROCK2

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-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed