SCHEMBL15947376

SCHEMBL15947376

CNCc1ccc(CNC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.66
▸ HDAC1 Q13547 4/20 0.61
▸ HDAC6 Q9UBN7 2/20 0.61
▸ MAPT P10636 5/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ HDAC3 O15379 3/20 0.51
▸ HDAC2 Q92769 3/20 0.51
▸ VHL P40337 1/20 0.49
▸ NOS3 P29474 1/20 0.48
▸ NOS1 P29475 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ HDAC4 P56524 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LOXL2 Q9Y4K0 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
SCHEMBL12133623 0.91 KMT2A (0.76) KMT2AHDAC1HDAC6MAPTALDH1A1
N-Benzylmethylamine SCHEMBL2561295 0.90 MAPT (0.63) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL14174608 0.84 NOS1 (0.51) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL13477518 0.83 KMT2A (0.61) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL3612557 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL171709 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL1951513 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL885068 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL3612554 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL12466491 0.83 CYP1A2 (0.55) KMT2AHDAC1HDAC6MAPTALDH1A1

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
US-10882952-B2 Side-chain-functionalized polyhydroxyalkanoate materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-01-05 — — US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 — — US disclosed
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