SCHEMBL31413547

SCHEMBL31413547

O=C(Oc1c(-c2ccccc2)nc2ccccn2c1=O)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NTRK1 P04629 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ PKM P14618 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL31413580 0.89 SMN1; SMN2 (0.57) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413548 0.88 SMN1; SMN2 (0.50) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413544 0.87 SMN1; SMN2 (0.53) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413570 0.81 KDM4E (0.44) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413543 0.81 SMN1; SMN2 (0.50) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413551 0.81 KDM4E (0.52) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413597 0.81 MAPT (0.58) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413546 0.81 SMN1; SMN2 (0.56) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413542 0.80 NTRK1 (0.54) KMT2AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL31413609 0.79 SMN1; SMN2 (0.52) KMT2AKDM4EHPGDSMN1; SMN2MAPT

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-119504744-A C3 arylformyloxy 4H-pyrido [1,2-a ] pyrimidine-4-ketone derivative and synthetic method thereof 山西医科大学 2025-02-25 — — CN disclosed
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