SCHEMBL30170547

SCHEMBL30170547

Sc1ccc(-c2ccccc2-c2ccc(S)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.42
▸ ABCB1 P08183 3/20 0.42
▸ BCR P11274 3/20 0.42
▸ APP P05067 1/20 0.40
▸ PTGS2 P35354 5/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTGS1 P23219 2/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL30679616 0.94 PTGS2 (0.46) ABL1ABCB1BCRPTGS2ALDH1A1
SCHEMBL5698461 0.87 PTGS2 (0.52) ABL1ABCB1BCRPTGS2ALDH1A1
SCHEMBL22931425 0.86 IDO1 (0.38) ABL1ABCB1BCRAPPPTGS2
SCHEMBL3648334 0.82 ALDH1A1 (0.47) ALDH1A1BACE1
SCHEMBL11295417 0.82 CYP2A6 (0.65) IDO1ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL24196987 0.82 ALDH1A1 (0.65) ABL1ABCB1BCRAPPIDO1
SCHEMBL25975073 0.82 ALDH1A1 (0.65) IDO1ALDH1A1HSD17B10HPGD
SCHEMBL1845615 0.82 CA12 (0.52) ALDH1A1HSD17B10HPGDCASP3SENP8
SCHEMBL13429749 0.82 ALDH1A1 (0.65) IDO1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL625213 0.80 BACE1 (0.41) ABL1ABCB1BCRPTGS2ALDH1A1

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
CN-119020012-A Electrochromic material with visible light and near infrared light transmittance respectively adjustable, preparation method thereof and electrochromic device 宁波华瓴光学技术有限公司 2024-11-26 — — CN disclosed
WO-2023012058-A1 DENTAL IMPLANT MESOSTRUCTURES HAVING A SHAPE MEMORY EFFECT Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-02-09 — — WO disclosed
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