SCHEMBL15819557

SCHEMBL15819557

O=S(=O)(NCc1ccnc2ccccc12)c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL15643340 0.82 ALDH1A1 (0.42) MAPTALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL15643545 0.80 CYP19A1 (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14333772 0.79 SMN1; SMN2 (0.53) MAPTALDH1A1CYP1A2HTTLMNA
SCHEMBL3253962 0.78 GAA (0.44) ALDH1A1POLBGAAHTTLMNA
SCHEMBL15841258 0.78 CYP19A1 (0.50) MAPTALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL12919527 0.77 NPC1 (0.48) MAPTALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL4508326 0.77 CYP19A1 (0.50) ALDH1A1CYP19A1HTTSMN1; SMN2
SCHEMBL14992892 0.77 SMN1; SMN2 (0.47) MAPTALDH1A1HTTLMNAADAMTS4
SCHEMBL14334759 0.77 AR (0.53) ALDH1A1CYP19A1GAAHTTADAMTS4
SCHEMBL4515544 0.75 CYP19A1 (0.46) MAPTALDH1A1NPC1CYP1A2CYP3A4

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
WO-2014099837-A1 SULFONAMIDE ANTHELMINTICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-06-26 — — WO claimed
WO-2014099837-A1 SULFONAMIDE ANTHELMINTICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-06-26 — — WO disclosed
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