SCHEMBL28601294

SCHEMBL28601294

O=C(NCCc1ccccc1Cl)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.70
P2RX7 Q99572 7/20 0.65
HPGDS O60760 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TRPV1 Q8NER1 2/20 0.56
BAZ2B Q9UIF8 1/20 0.56
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
LDHA P00338 1/20 0.51
ROCK2 O75116 1/20 0.50

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
SCHEMBL8160653 0.83 HIF1A (1.00) HIF1AP2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL14082174 0.82 P2RX7 (0.73) HIF1AP2RX7HPGDSSMN1; SMN2TRPV1
SCHEMBL20267109 0.81 HPGDS (0.70) HPGDSSMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL5598218 0.81 HIF1A (0.85) HIF1AP2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL16495906 0.80 HPGDS (0.64) HIF1AHPGDSSMN1; SMN2NPC1RAB9A
SCHEMBL16496362 0.78 NPC1 (0.58) HPGDSSMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL16495680 0.78 HPGDS (0.65) HPGDSSMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL16496085 0.78 HPGDS (0.65) HPGDSSMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL16496356 0.77 HPGDS (0.64) HPGDSSMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL28598668 0.77 HIF1A (1.00) HIF1AP2RX7

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-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed