SCHEMBL8701918

SCHEMBL8701918

O=C(O)COc1nc(-c2ccccc2)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MGLL Q99685 2/20 0.46
PTPN1 P18031 1/20 0.46
POLB P06746 1/20 0.45
ENPP2 Q13822 3/20 0.45
ROCK2 O75116 1/20 0.44
MAOB P27338 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PLAU P00749 1/20 0.41
CASP3 P42574 3/20 0.41

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
SCHEMBL8704811 0.90 TACR3 (0.52) TACR3NPC1RAB9AMGLLPTPN1
SCHEMBL1705538 0.82 TACR3 (0.54) TACR3NPC1RAB9AMGLLPTPN1
SCHEMBL27468452 0.79 TACR3 (0.51) TACR3NPC1RAB9AMGLLPTPN1
SCHEMBL3639800 0.78 TACR3 (0.50) TACR3NPC1RAB9AMGLLPTPN1
SCHEMBL7310630 0.75 NPC1 (0.61) NPC1RAB9AMGLLPTPN1POLB
SCHEMBL27857608 0.73 P2RX7 (0.48) TACR3NPC1RAB9AMGLLPOLB
SCHEMBL27789206 0.73 ROCK2 (0.62) NPC1RAB9AMGLLPTPN1POLB
SCHEMBL3766520 0.72 TACR3 (0.47) TACR3NPC1RAB9AMGLLPTPN1
SCHEMBL7296951 0.70 MAPT (0.80) NPC1RAB9AMGLLPOLBROCK2
SCHEMBL3105408 0.69 RAB9A (0.60) TACR3NPC1RAB9AMGLLPOLB

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-1998045266-A1 3-AMINOPYRIDINE DERIVATIVES FOR TREATMENT OF INFLAMMATORY AND MALIGNANT DISEASES FERRING B.V. (NL) 1998-10-15 WO disclosed