SCHEMBL11741546

SCHEMBL11741546

CCCCSc1ncc2cnsc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ HASPIN Q8TF76 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.38
▸ USP2 O75604 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ KDM6B O15054 1/20 0.34

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
SCHEMBL19243087 0.69 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL1444090 0.67 MEN1 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL29241996 0.67 USP2 (0.54) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7794896 0.65 HASPIN (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL27627103 0.65 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL27535767 0.65 XDH (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL9435490 0.64 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL423622 0.64 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4824659 0.64 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6249823 0.64 NPC1 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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-4041025-A FOR HYDROPHOBIC FIBERS SUCH AS POLYESTERS, YELLOW TO BLUE-GREEN SHADES BASF AKTIENGESELLSCHAFT (DT) 1977-08-09 — — US disclosed
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