SCHEMBL22901703

SCHEMBL22901703

O=C(N1CCCC1)n1ncc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 2/20 0.63
▸ LYPLA2 O95372 2/20 0.56
▸ TRPV1 Q8NER1 2/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ HPGD P15428 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NAAA Q02083 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LYPLA1 O75608 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL17276552 0.74 HPGD (0.51) LYPLA2TRPV1MGLLHPGDMAPK1
SCHEMBL17276373 0.72 HPGD (0.49) LYPLA2TRPV1MGLLHPGDMAPK1
SCHEMBL17276563 0.71 HPGD (0.47) LYPLA2TRPV1MGLLHPGDMAPK1
SCHEMBL11199840 0.70 DAGLA (0.42) DAGLAHPGDMAPK1SMN1; SMN2MEN1
Oxalic Acid SCHEMBL3600180 0.67 CYP1A2 (0.50) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL6614562 0.66 HPGD (1.00) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL11218440 0.66 DAGLA (0.40) DAGLAHPGDMAPK1SMN1; SMN2MEN1
SCHEMBL3454812 0.65 HPGD (0.96) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3456729 0.65 HPGD (0.96) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL11813984 0.64 HSD17B10 (0.44) DAGLAHPGDSMN1; SMN2RAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120022348-A Application of PAFAH protein in preparation of products for preventing and/or treating ischemia reperfusion injury 南开大学 2025-05-23 — — CN disclosed
WO-2024077085-A1 TARGETING PHOSPHOLIPASE A2 (PLA2) IN CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-04-11 — — WO disclosed
WO-2021011674-A1 METHODS USEFUL IN TREATING CANCERS HARBORING A KRAS OR HRAS MUTATION OR AMPLIFICATION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-01-21 — — WO disclosed
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