SCHEMBL28910899

SCHEMBL28910899

Nc1csc(N2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ AR P10275 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PIK3CG P48736 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NCF1 P14598 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
Hydrochloric Acid SCHEMBL9286611 0.98 SMN1; SMN2 (0.51) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL20243714 0.81 LMNA (0.58) SMN1; SMN2ARRAB9AMAPK1MEN1
Hydrochloric Acid SCHEMBL9282405 0.79 LMNA (0.57) SMN1; SMN2ARRAB9AMAPK1MEN1
SCHEMBL17266285 0.78 AR (0.54) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL22334869 0.78 AR (0.54) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL18674672 0.78 AR (0.54) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL18674673 0.78 AR (0.54) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL4469579 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL2624023 0.76 RAB9A (0.58) SMN1; SMN2ARHSD17B10TP53ALOX15
SCHEMBL3047832 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ARHSD17B10TP53ALOX15

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
CN-109705033-B N-heteroaryl sulfonamide derivative, preparation and application 杭州壹瑞医药科技有限公司 2021-03-30 — — CN disclosed
Send feedback