SCHEMBL29095912

SCHEMBL29095912

COc1ccc(-n2c(-c3ccc(C=O)cc3)nc3c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ OXTR P30559 1/20 0.43
▸ G6PD P11413 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL2581671 0.89 ALDH1A1 (0.57) ALDH1A1RAB9ANPSR1MAPTLMNA
SCHEMBL2588310 0.85 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1MAPTLMNA
SCHEMBL30273884 0.85 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1MAPTLMNA
SCHEMBL2951781 0.82 ALDH1A1 (0.52) ALDH1A1RAB9ANPSR1MAPTLMNA
SCHEMBL27817104 0.79 MEN1 (0.49) ALDH1A1RAB9ANPSR1MAPTLMNA
SCHEMBL29746884 0.77 OXTR (0.50) ALDH1A1RAB9ANPSR1OXTRG6PD
SCHEMBL29321076 0.77 ALDH1A1 (0.47) ALDH1A1RAB9ANPSR1MAPTLMNA
SCHEMBL14690527 0.76 ALDH1A1 (0.40) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL763127 0.76 KDM4E (0.60) ALDH1A1RAB9AMAPTLMNAKMT2A
SCHEMBL14690528 0.76 ALDH1A1 (0.40) ALDH1A1NPSR1MAPTLMNAKMT2A

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-116969895-A Colorimetric fluorescent probe for naked eye and real-time detection of hypochlorous acid as well as preparation method and application thereof 齐齐哈尔大学 2023-10-31 — — CN claimed
CN-116969895-B Colorimetric fluorescent probe for naked eye and real-time detection of hypochlorous acid as well as preparation method and application thereof 齐齐哈尔大学 2025-11-07 — — CN disclosed
CN-116969895-A Colorimetric fluorescent probe for naked eye and real-time detection of hypochlorous acid as well as preparation method and application thereof 齐齐哈尔大学 2023-10-31 — — CN disclosed
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