SCHEMBL31426852

SCHEMBL31426852

Cc1ccc2nc(P(=O)(c3ccccc3)c3ccccc3)cc(C(F)(F)F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ MITF O75030 1/20 0.35

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
SCHEMBL30744889 0.73 KIF11 (0.42) ELANEMAPTPOLBALDH1A1ADRB2
SCHEMBL29156668 0.73 KIF11 (0.42) ELANEMAPTPOLBALDH1A1ADRB2
SCHEMBL10063315 0.71 ELANE (0.48) ELANEL3MBTL1BACE1MAPTLMNA
SCHEMBL29156718 0.71 MAOA (0.46) ELANEL3MBTL1MAPTLMNAPOLB
SCHEMBL31426869 0.70 DHODH (0.38) BACE1KDM4ECDK2CDK8
SCHEMBL31426858 0.70 DHODH (0.38) BACE1KDM4ECDK2CDK8
SCHEMBL31426871 0.70 MEN1 (0.38) MAPTHTTPOLBHIF1AKDM4E
SCHEMBL31426878 0.68 GAA (0.36) MAPTHTTSMN1; SMN2POLBKDM4E
SCHEMBL14929706 0.68 ACP1 (0.45) ELANEL3MBTL1BACE1MAPTLMNA
SCHEMBL29156772 0.67 GPR3 (0.42) MAPTPOLBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613454-A Preparation method of difluoromethyl-containing compound 昆明理工大学 2025-03-14 — — CN disclosed
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