SCHEMBL29644277

SCHEMBL29644277

O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.83
▸ HPGD P15428 3/20 0.83
▸ CYP1A2 P05177 2/20 0.83
▸ MEN1 O00255 1/20 0.83
▸ ALOX12 P18054 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ MPL P40238 2/20 0.51
▸ CDK2 P24941 3/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ MAP2K4 P45985 1/20 0.49
▸ MAPK6 Q16659 1/20 0.49
▸ MAPKAPK5 Q8IW41 1/20 0.49
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ HAT1 O14929 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL10253551 1.00 ALDH1A1 (0.83) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL2978109 0.91 CYP1A2 (1.00) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL1557638 0.89 MEN1 (0.68) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL2133676 0.87 MEN1 (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL29644278 0.87 MEN1 (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL3629228 0.87 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL1465827 0.87 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL11773319 0.84 MEN1 (0.62) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL9936837 0.83 NR4A2 (0.65) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL3174159 0.83 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2MEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306651-A Indole 3-amide derivative and preparation method and application thereof 山东大学 2025-01-14 — — CN disclosed
CN-116867768-A STING antagonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-10-10 — — CN disclosed
EP-4247790-A1 STING ANTAGONISTS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2023-09-27 — — EP disclosed
WO-2022105930-A1 STING ANTAGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-05-27 — — WO disclosed
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