SCHEMBL28972179

SCHEMBL28972179

CCn1c2ccc(CNc3nc4ccccc4n3C)cc2c2cc(-c3c(C)noc3C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 10/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPK1 P28482 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL30061974 1.00 LMNA (0.49) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL28972166 0.83 NPC1 (0.60) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL28972163 0.82 LMNA (0.48) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL30063917 0.82 LMNA (0.48) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL28972167 0.80 MAPK1 (0.51) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL30218942 0.80 MAPK1 (0.51) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL28972136 0.80 KDM4E (0.63) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL30061959 0.80 KDM4E (0.63) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL30063964 0.80 MAPK1 (0.66) LMNANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL28972206 0.80 MAPK1 (0.66) LMNANPC1RAB9AMAPK1SMN1; SMN2

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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