SCHEMBL10621640

SCHEMBL10621640

Cc1c(Cl)cc(S(=O)(=O)O)cc1Nc1ncnc(Nc2cc(S(=O)(=O)O)cc(Cl)c2C)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.44
▸ TNNI3K Q59H18 4/20 0.41
▸ LRRK2 Q5S007 4/20 0.38
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PTK2 Q05397 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.33
▸ EPHB4 P54760 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11131894 0.83 CDK2 (0.37) TNNI3KLRRK2PTK2
SCHEMBL11134269 0.83 PTK2 (0.43) TNNI3KLRRK2PTK2EPHB4
SCHEMBL8636120 0.73 CASR (0.47) CASRLMNAALDH1A1MAPTCASP6
SCHEMBL11135444 0.72 PTK2 (0.43) TNNI3KLRRK2PTK2EPHB4
SCHEMBL14606512 0.72 CASR (0.49) CASRNPC1RAB9ALMNAALDH1A1
SCHEMBL18902955 0.70 TNNI3K (0.40) TNNI3KLRRK2FUT8ALDH1A1CASP6
SCHEMBL11532165 0.69 LRRK2 (0.41) TNNI3KLRRK2NPC1RAB9APTK2
SCHEMBL9422589 0.69 LRRK2 (0.45) LRRK2ALDH1A1MAPTCASP6KMT2A
SCHEMBL18902953 0.67 FUT8 (0.38) TNNI3KFUT8ALDH1A1CASP6KMT2A
SCHEMBL10621173 0.67 LMNA (0.41) TNNI3KLRRK2NPC1RAB9APTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748236-A Azo dyestuffs having sulpho ortho to azo bridge and containing two triazine reactive groups BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 — — US disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 — — US disclosed
EP-0053320-A2 Process for the preparation of phthalocyanin compounds BAYER AG (DE) 1982-06-09 — — EP disclosed
EP-0047863-A2 Reactive phthalocyanine hyes, process for their preparation and their use in dyeing materials containing hydroxyle groups and/or nitrogen BAYER AG (DE) 1982-03-24 — — EP disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 — — US disclosed
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