SCHEMBL21964601

SCHEMBL21964601

O=Nc1cc(C(=O)N2CCCC2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 8/20 0.49
▸ TACR3 P29371 2/20 0.41
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL12304379 0.73 TP53 (0.47) ALPLTP53
SCHEMBL14235380 0.73 ALPL (0.48) ALPLTACR3HPGDNPC1RAB9A
SCHEMBL3455486 0.72 ALPL (0.49) ALPLTACR3HPGDALDH1A1HRH4
SCHEMBL21964602 0.72 ALPL (0.47) ALPLTACR3HPGDALDH1A1NPC1
SCHEMBL28511427 0.71 TACR3 (0.76) ALPLTACR3ALDH1A1KDM5BMAPT
SCHEMBL12304381 0.68 MAPK1 (0.61) ALPLNPC1RAB9AMAPTLMNA
SCHEMBL28905677 0.66 L3MBTL1 (0.67) ALPLTACR3ALDH1A1NPC1RAB9A
SCHEMBL30699799 0.66 HPGD (0.42) ALPLHPGDALDH1A1HRH4HRH3
SCHEMBL8001697 0.64 ALPL (0.54) ALPLTACR3HPGDALDH1A1NPC1
SCHEMBL21960919 0.63 L3MBTL3 (0.38) HPGDALDH1A1NPC1RAB9AKDM4E

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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 — — EP disclosed
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