SCHEMBL28972244

SCHEMBL28972244

CCn1c2ccc(CNc3nc4ccccc4n3C)cc2c2c3ccccc3ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ THRB P10828 1/20 0.50
▸ TP53 P04637 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ PKM P14618 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL28972166 0.89 NPC1 (0.60) MAPK1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28972206 0.83 MAPK1 (0.66) MAPK1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30063964 0.83 MAPK1 (0.66) MAPK1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30061973 0.81 LMNA (0.65) MAPK1KMT2AMAPTALDH1A1MEN1
SCHEMBL28972164 0.81 LMNA (0.65) MAPK1KMT2AMAPTALDH1A1MEN1
SCHEMBL30061987 0.80 NPC1 (0.53) MAPK1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL28972116 0.80 NPC1 (0.53) MAPK1KMT2AKDM4EALDH1A1NPSR1
SCHEMBL28972489 0.80 RAB9A (0.49) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL28972264 0.78 ALDH1A1 (0.65) MAPK1MAPTKDM4EALDH1A1HPGD
SCHEMBL28972321 0.78 SMN1; SMN2 (0.56) MAPK1KMT2AMAPTKDM4EALDH1A1

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-115667224-A SCL15A4 small molecule inhibitors with anti-inflammatory activity 斯克里普斯研究学院 2023-01-31 — — CN disclosed
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