SCHEMBL7952818

SCHEMBL7952818

Nc1nc(-c2ccc(NC(=O)CN(Cc3ccncc3)C(=O)C3CCCCC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ WNT3A P56704 1/20 0.39
▸ CPB1 P15086 1/20 0.39
▸ ROCK1 Q13464 3/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CTPS1 P17812 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TAAR1 Q96RJ0 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
SCHEMBL7470064 0.92 CPB1 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7463048 0.80 CYP3A4 (0.57) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7468566 0.72 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7478638 0.72 MEN1 (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7532393 0.71 RAB9A (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16468911 0.68 ROCK1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL16468910 0.68 ROCK1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13928711 0.68 RAB9A (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14825155 0.68 RAB9A (0.75) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6174153 0.67 RAB9A (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 — — US disclosed
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