SCHEMBL29284661

SCHEMBL29284661

CSC(C)C(C)n1ncc(C(=O)O)c1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ KDM6B O15054 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.31
▸ HIF1AN Q9NWT6 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29284688 0.86 — —
SCHEMBL29284673 0.81 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2KMT2AKDM6B
Hydrochloric Acid SCHEMBL29284675 0.79 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2KMT2AKDM6B
SCHEMBL29284670 0.79 MAPT (0.46) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL29284685 0.73 CYP3A4 (0.34) —
SCHEMBL713246 0.72 ALDH1A1 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2PTGER4
SCHEMBL15484319 0.71 NR4A3 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29284672 0.71 PTGS2 (0.30) —
SCHEMBL29284665 0.69 — —
SCHEMBL29284657 0.68 POLB (0.31) MAPTSMN1; SMN2

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-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 — — CN claimed
CN-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 — — CN disclosed
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