SCHEMBL30011251

SCHEMBL30011251

CCCN1CCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.52
▸ LPAR2 Q9HBW0 1/20 0.52
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL10724375 0.73 POLB (0.67) SMN1; SMN2KMT2AMEN1DRD2DRD3
SCHEMBL29936294 0.70 LPAR2 (1.00) LPAR1LPAR2DRD3SIGMAR1
SCHEMBL26907286 0.70 LPAR2 (1.00) LPAR1LPAR2DRD3SIGMAR1
SCHEMBL29936087 0.68 PKM (0.46) LPAR1LPAR2LMNAMAPK1SMN1; SMN2
SCHEMBL28794390 0.68 ALDH1A1 (0.49) MAPK1SMN1; SMN2KMT2AKDM4E
SCHEMBL23794675 0.67 NPC1 (0.50) LMNASMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL9096579 0.67 CA2 (0.46) LMNASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL17367677 0.66 KDM4E (0.62) KMT2AMEN1KDM4EDRD2DRD3
SCHEMBL10728118 0.66 POLB (0.63) LMNASMN1; SMN2KMT2AMEN1DRD2
SCHEMBL25072808 0.65 POLB (0.50) LMNASMN1; SMN2KMT2AKDM4EL3MBTL1

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-4072670-A1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-10-19 — — EP claimed
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