SCHEMBL21964602

SCHEMBL21964602

O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 4/20 0.47
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TACR3 P29371 1/20 0.39
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL160276 0.75 SMN1; SMN2 (0.51) ALPL
SCHEMBL12332643 0.74 SMN1; SMN2 (0.37) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL175136 0.74 SMN1; SMN2 (0.40) MAPTALDH1A1KMT2A
SCHEMBL21964601 0.72 ALPL (0.49) ALPLMAPTALDH1A1HPGDTACR3
SCHEMBL28876776 0.71 ALDH1A1 (0.45) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL16524045 0.70 SMN1; SMN2 (0.37) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL627520 0.70 MAPK1 (0.57) ALPLMAPTPOLBNPC1
SCHEMBL3455486 0.70 ALPL (0.49) ALPLPOLBALDH1A1MEN1KMT2A
SCHEMBL13148139 0.69 CSF1R (0.66) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3932634 0.69 MAPK8 (0.55) MAPTPOLBALDH1A1HPGDNPC1

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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