SCHEMBL30857793

SCHEMBL30857793

CCCCCC(C)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.48
▸ MLYCD O95822 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA12 O43570 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
SCHEMBL11442419 0.86 ALDH1A1 (0.58) HDAC1MLYCDMEN1KMT2ASMN1; SMN2
SCHEMBL11520102 0.84 ALDH1A1 (0.56) MLYCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1417508 0.84 ALDH1A1 (0.56) MLYCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11513573 0.84 ALDH1A1 (0.56) MLYCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL39138 0.84 ALDH1A1 (0.56) MLYCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11473790 0.84 ALDH1A1 (0.56) MLYCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18626323 0.83 MEN1 (0.44) HDAC1MLYCDMEN1KMT2ASMN1; SMN2
SCHEMBL2722703 0.80 ALDH1A1 (0.60) MLYCDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28040046 0.79 ALDH1A1 (0.50) HDAC1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28829229 0.78 ALDH1A1 (0.48) MLYCDMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635958-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2025-10-22 — — EP disclosed
WO-2024125642-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-06-20 — — WO disclosed
WO-2024022444-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2024-02-01 — — WO disclosed
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