SCHEMBL29055220

SCHEMBL29055220

N=C(N)NC(=N)NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.57
▸ GAA P10253 1/20 0.55
▸ CTSL P07711 1/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ FES P07332 1/20 0.49
▸ RET P07949 1/20 0.49
▸ MARK3 P27448 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48

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
SCHEMBL4165430 0.87 RECQL (0.70) RECQLALDH1A1GAACTSLCYP1A2
SCHEMBL30165326 0.86 KEAP1 (0.59) RECQLALDH1A1GAACTSLCYP1A2
SCHEMBL13584673 0.86 KEAP1 (0.59) RECQLALDH1A1GAACTSLCYP1A2
Hydrochloric Acid SCHEMBL27778891 0.85 RECQL (0.68) RECQLALDH1A1GAACTSLCYP1A2
Hydrochloric Acid SCHEMBL13583573 0.84 KEAP1 (0.57) RECQLALDH1A1GAACTSLCYP1A2
SCHEMBL10753424 0.84 ALDH1A1 (0.67) RECQLALDH1A1GAACTSLCYP1A2
Hydrochloric Acid SCHEMBL11333270 0.83 ALDH1A1 (0.65) RECQLALDH1A1GAACTSLCYP1A2
SCHEMBL14289021 0.81 ALDH1A1 (0.60) RECQLALDH1A1GAACTSLCYP1A2
SCHEMBL13584759 0.81 ALDH1A1 (0.53) RECQLALDH1A1GAACTSLCYP1A2
SCHEMBL29055221 0.80 ALDH1A1 (0.46) ALDH1A1GAACYP1A2CYP2D6MAPT

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-113999333-B Modified fluorosilicone acrylate resin, antifouling and antibacterial coating and preparation method thereof 上海沪正实业有限公司 2023-08-18 — — CN claimed
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