SCHEMBL29946786

SCHEMBL29946786

c1cc(N2CC3(CCNCC3)C2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.65
▸ HSD17B10 Q99714 9/20 0.65
▸ HPGD P15428 7/20 0.65
▸ CYP1A2 P05177 6/20 0.65
▸ CYP2D6 P10635 12/20 0.50
▸ CYP3A4 P08684 9/20 0.50
▸ TSHR P16473 8/20 0.50
▸ CYP2C19 P33261 6/20 0.50
▸ USP2 O75604 5/20 0.50
▸ CYP2C9 P11712 4/20 0.50
▸ MAPK1 P28482 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 2/20 0.43
▸ HIF1A Q16665 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ CDC42BPB Q9Y5S2 1/20 0.39

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
SCHEMBL194151 0.78 PLD1 (0.59) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL15863561 0.78 PLD1 (0.59) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4808448 0.76 PLD1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL31394440 0.76 PLD1 (0.58) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL13018665 0.75 HRH3 (0.65) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL16430513 0.74 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL27226470 0.72 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL30663939 0.71 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL9767811 0.70 — —
SCHEMBL31540828 0.70 CYP1A2 (0.46) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337203-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Syndax Pharmaceuticals, Inc. (US) 2024-03-20 — — EP disclosed
WO-2022241265-A1 INHIBITORS OF THE MENIN-MLL INTERACTION SYNDAX PHARMACEUTICALS, INC. (US) 2022-11-17 — — WO disclosed
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