SCHEMBL9777983

SCHEMBL9777983

Cc1ccc(S(=O)(=O)NCC(=O)c2ccc(CCC(=O)O)cc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 1/20 0.50
KAT6A Q92794 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10592696 0.88 HTT (0.50) ALDH1A1MAPTKAT6APKMMAPK1
SCHEMBL9777991 0.86 ALDH1A1 (0.64) ALDH1A1MAPTNPSR1POLBMEN1
SCHEMBL9778006 0.84 ALDH1A1 (0.67) ALDH1A1MAPTKAT6APKMNPSR1
SCHEMBL9777957 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKAT6ANPSR1CA1
SCHEMBL9778075 0.82 FABP4 (0.54) ALDH1A1MAPTHTTNPSR1RAB9A
SCHEMBL9777976 0.81 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1POLBCA1
SCHEMBL9777971 0.81 TBXA2R (0.59) ALDH1A1MAPTNPSR1
SCHEMBL9777950 0.81 TSHR (0.59) ALDH1A1MAPTNPSR1POLBNPC1
SCHEMBL9777982 0.79 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1POLBCA1
SCHEMBL9778050 0.73 GAA (0.48) ALDH1A1MAPTNPSR1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed