SCHEMBL30658552

SCHEMBL30658552

CCCc1cccc2c1[nH]c1ccccc12.[N]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.53
▸ MAPT P10636 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ PARP14 Q460N5 5/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GABRP O00591 2/20 0.44
▸ GABRD O14764 2/20 0.44
▸ GABRA1 P14867 2/20 0.44
▸ GABRB1 P18505 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ GABRA4 P48169 2/20 0.44
▸ GABRE P78334 2/20 0.44

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
SCHEMBL29836254 0.98 KIF11 (0.55) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL2519316 0.98 KIF11 (0.55) KIF11MAPTMAPK1NPSR1PARP14
Ammonia Solution, Strong SCHEMBL28526125 0.97 KIF11 (0.53) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL29413983 0.88 KIF11 (0.51) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL723860 0.88 KIF11 (0.51) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL175508 0.87 KIF11 (0.50) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL30658551 0.86 KIF11 (0.56) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL7760020 0.85 PARP14 (0.54) KIF11MAPTMAPK1NPSR1PARP14
SCHEMBL1000879 0.85 CTSV (0.51) KIF11MAPTMAPK1NPSR1PARP14
Carbazole SCHEMBL18335245 0.85 KIF11 (0.49) KIF11MAPTMAPK1NPSR1PARP14

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
CN-119857487-A Anti-carbon-deposition high-stability organic liquid hydrogen storage material hydrogenation catalyst and preparation method and application thereof 中国地质大学(武汉) 2025-04-22 — — CN disclosed
CN-117563602-A Preparation method and application of hydrogenation catalyst 中国地质大学(武汉) 2024-02-20 — — CN disclosed
CN-117105169-A Preparation method and application of low-melting-point mixed liquid hydrogen storage material 中国地质大学(武汉) 2023-11-24 — — CN disclosed
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