SCHEMBL9715445

SCHEMBL9715445

CC(Nc1nc(C(=O)O)cs1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.40
DHFR P00374 1/20 0.40
EGFR P00533 1/20 0.40
PIM1 P11309 4/20 0.39
PIM3 Q86V86 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
PTGER1 P34995 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL10473123 0.83 SMN1; SMN2 (0.57) POLBEGFRNPC1RAB9AGAA
Oxalic Acid SCHEMBL9536045 0.83 USP2 (0.57) POLBNPC1RAB9AGAAALDH1A1
SCHEMBL2744060 0.81 L3MBTL1 (0.62) L3MBTL1POLBNPC1RAB9AGAA
Bromide SCHEMBL2241396 0.79 L3MBTL1 (0.60) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL9536253 0.79 FDPS (0.45) NPC1RAB9AGAAALDH1A1ALOX15
SCHEMBL9537775 0.75 NPC1 (0.52) L3MBTL1NPC1RAB9AGAAALDH1A1
SCHEMBL1810549 0.74 L3MBTL1 (0.57) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL28305604 0.71 L3MBTL1 (0.47) L3MBTL1POLBDHFREGFRGAA
SCHEMBL9715442 0.70 DHFR (0.50) L3MBTL1POLBDHFREGFRNPC1
SCHEMBL1809197 0.69 L3MBTL1 (0.68) L3MBTL1POLBNPC1RAB9AGAA

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
EP-0343893-B1 AROMATIC AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS ANTINEOPLASTIC AGENTS PFIZER INC. (US) 1992-08-05 EP disclosed