SCHEMBL18753335

SCHEMBL18753335

COc1cc(C(=O)N2CCN(C(=O)c3ccncc3F)CC2)ccc1N[SH](=O)=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ LRRK2 Q5S007 10/20 0.45
▸ MAP3K7 O43318 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CPS1 P31327 1/20 0.41
▸ ROCK2 O75116 1/20 0.41

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
SCHEMBL18753678 0.88 LRRK2 (0.48) LMNATSHRLRRK2
SCHEMBL18753852 0.87 POLB (0.45) TSHRLRRK2MAP3K7POLBCPS1
SCHEMBL18753787 0.86 LRRK2 (0.49) LMNATSHRLRRK2
SCHEMBL20750527 0.83 KMT2A (0.55) LMNALRRK2POLB
SCHEMBL18753869 0.83 MYC (0.49) LMNALRRK2MAP3K7
SCHEMBL19562201 0.83 TSHR (0.50) LMNATSHRPOLBCPS1
SCHEMBL18753710 0.82 CPS1 (0.46) LMNATSHRPOLBCPS1
SCHEMBL20750678 0.82 HPGD (0.48) LMNATSHRLRRK2POLB
SCHEMBL20750359 0.81 ALDH1A1 (0.47) LMNATSHRPOLB
SCHEMBL18753860 0.80 LRRK2 (0.45) LMNALRRK2

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
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 — — EP disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 — — EP disclosed
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