SCHEMBL30839798

SCHEMBL30839798

COc1cc(N)cc(-c2cccc(OC)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ABL1 P00519 4/20 0.45
▸ ABCB1 P08183 4/20 0.45
▸ BCR P11274 4/20 0.45
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ CYP2E1 P05181 2/20 0.42
▸ CYP2C8 P10632 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ CYP4B1 P13584 2/20 0.42
▸ CYP2B6 P20813 2/20 0.42
▸ CYP3A5 P20815 2/20 0.42
▸ CYP2A7 P20853 2/20 0.42
▸ CYP3A7 P24462 2/20 0.42
▸ CYP2F1 P24903 2/20 0.42
▸ CYP2C18 P33260 2/20 0.42

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
SCHEMBL27185996 1.00 CYP3A4 (0.46) CYP3A4ALDH1A1ABL1ABCB1BCR
SCHEMBL28184418 0.83 CYP3A4 (0.54) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL31425163 0.82 CYP3A4 (0.53) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3790127 0.81 FYN (0.50) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL27938882 0.80 ABL1 (0.50) CYP3A4ALDH1A1ABL1ABCB1BCR
SCHEMBL3789559 0.78 ABL1 (0.53) CYP3A4ALDH1A1ABL1ABCB1BCR
SCHEMBL3786504 0.78 FYN (0.45) CYP3A4ALDH1A1ABL1CYP1A2CYP2D6
SCHEMBL31607623 0.76 ALDH1A1 (0.52) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL2212731 0.76 ALDH1A1 (0.52) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3252192 0.75 ALDH1A1 (0.48) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9

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
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 — — WO claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 — — EP disclosed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 — — WO disclosed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 — — CN disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 — — WO disclosed
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