SCHEMBL30800166

SCHEMBL30800166

Nc1ncc(Br)nc1Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 1/20 0.39
MPO P05164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL21751294 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL29281616 0.88 MPO (0.41) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL30800189 0.83 NPC1 (0.37) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL21751301 0.83 NPC1 (0.37) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL23875970 0.80 L3MBTL1 (0.42) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL934740 0.77 LTB4R (0.46) MPO
Ammonia Solution, Strong SCHEMBL6841670 0.77 LTA4H (0.42) ARTAAR1MAPTADORA2AADORA1
Ammonia Solution, Strong SCHEMBL5381714 0.73 MPO (0.35) MPOMAPTHTR2CHTR2B
SCHEMBL21758288 0.72 RAB9A (0.42) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL23875460 0.71 ALDH1A1 (0.38) ALDH1A1L3MBTL1NPC1HTTRAB9A

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-117924295-A Furimazine derivative and preparation method and application thereof 广州博鹭腾生物科技有限公司 2024-04-26 CN disclosed
CN-112513188-B Coelenterazine analogs 普洛麦格公司 2024-01-26 CN disclosed