SCHEMBL3785778

SCHEMBL3785778

Nn1c(-c2ccccc2)nc2ccccc2c1=O.O=C(CC12CC3CC(CC(C3)C1)C2)Nn1c(-c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 9/20 0.52
▸ EGFR P00533 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ P2RX7 Q99572 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3760532 0.94 ALDH1A1 (0.57) KMT2AALDH1A1EGFRHTTRAB9A
SCHEMBL3791796 0.86 HTT (0.53) KMT2AALDH1A1HTTL3MBTL1LMNA
SCHEMBL3755932 0.85 ALDH1A1 (0.56) ALDH1A1EGFRHTTRAB9AL3MBTL1
SCHEMBL3761284 0.83 HTT (0.58) KMT2AALDH1A1HTTL3MBTL1LMNA
SCHEMBL3785819 0.82 P2RX7 (0.44) KMT2AALDH1A1HTTLMNAP2RX7
SCHEMBL3765565 0.79 P2RX7 (0.48) KMT2AALDH1A1HTTLMNAP2RX7
SCHEMBL3762001 0.79 KMT2A (0.50) KMT2AALDH1A1LMNAGAAP2RX7
SCHEMBL3757585 0.79 P2RX7 (0.47) KMT2AALDH1A1HTTRAB9AL3MBTL1
SCHEMBL3755688 0.77 KMT2A (0.47) KMT2AALDH1A1GAAP2RX7
SCHEMBL3760814 0.76 ALDH1A1 (0.59) KMT2AALDH1A1HTTL3MBTL1GAA

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
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
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