SCHEMBL28344792

SCHEMBL28344792

O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.76
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
TAAR1 Q96RJ0 1/20 0.59
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
FAAH O00519 1/20 0.49
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL28344799 0.87 HIF1A (1.00) HIF1ARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28608835 0.84 HIF1A (0.85) HIF1ARAB9ANPC1TAAR1FAAH
SCHEMBL28601911 0.84 HIF1A (0.85) HIF1ARAB9ANPC1MAPTMEN1
SCHEMBL8824716 0.83 RAB9A (0.65) HIF1ARAB9ASMN1; SMN2NPC1TAAR1
SCHEMBL28347634 0.83 HIF1A (1.00) HIF1ARAB9ANPC1MEN1KMT2A
SCHEMBL28596560 0.83 HIF1A (0.83) HIF1ARAB9ANPC1MAPTFAAH
SCHEMBL28601903 0.83 HIF1A (0.83) HIF1ARAB9ANPC1ALDH1A1FAAH
SCHEMBL28607757 0.82 HIF1A (1.00) HIF1ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL28601907 0.78 HIF1A (0.81) HIF1ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL6962971 0.78 SMN1; SMN2 (0.89) RAB9ASMN1; SMN2NPC1TAAR1MAPT

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-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed
CN-110407824-A Aryl methanamide compounds and preparation method thereof, pharmaceutical composition and purposes UNIV ANHUI MEDICAL 2019-11-05 CN disclosed