SCHEMBL29055221

SCHEMBL29055221

N=C(N)NC(=N)NCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL11097818 0.86 ALDH1A1 (0.51) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL10310272 0.85 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAMAPTLMNA
Hydrochloric Acid SCHEMBL10753093 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL1520136 0.81 GRIN2D (0.49) ALDH1A1GAAMAPTLMNACA9
SCHEMBL11298514 0.81 ALDH1A1 (0.49) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL29055220 0.80 RECQL (0.62) ALDH1A1GAAMAPTHTTCYP1A2
SCHEMBL23135429 0.80 EPHX2 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4465134 0.80 GRIN2D (0.47) ALDH1A1GAAMAPTLMNACA9
SCHEMBL17777347 0.79 PLA2G1B (0.52) ALDH1A1LMNAHTTRAB9A
SCHEMBL17198946 0.79 LMNA (0.46) ALDH1A1MAPTLMNARAB9AKDM4E

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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