SCHEMBL29923875

SCHEMBL29923875

O=C(NCCc1ccc2ccccc2n1)c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ HPGD P15428 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL19407560 0.78 MAPT (0.56) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL7698230 0.78 KMT2A (0.68) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL19385987 0.76 HTT (0.55) KMT2AMEN1HPGDCYP1A2ALDH1A1
SCHEMBL29858122 0.76 HTT (0.55) KMT2AMEN1HPGDCYP1A2ALDH1A1
SCHEMBL2225530 0.75 NPC1 (0.56) KMT2AMEN1HPGDSMN1; SMN2NPC1
SCHEMBL10674362 0.72 KDM4E (0.67) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL3461357 0.72 SMN1; SMN2 (0.54) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL28335503 0.72 CYP1A2 (0.62) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL28105710 0.72 SMN1; SMN2 (0.61) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL3462627 0.71 SMN1; SMN2 (0.64) KMT2AMEN1HPGDLMNASMN1; SMN2

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 — — EP disclosed
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