SCHEMBL9684104

SCHEMBL9684104

Nc1nc(N)nc(NCC(=O)Nc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ERCC1 P07992 1/20 0.47
▸ ERCC4 Q92889 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ ENPP1 P22413 1/20 0.43
▸ HTT P42858 1/20 0.42

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
SCHEMBL1561387 0.77 MAPT (0.70) HDAC1MAPTLMNARAB9AMEN1
Hydrochloric Acid SCHEMBL11858514 0.76 MAPT (0.68) HDAC1MAPTLMNARAB9AMEN1
SCHEMBL15440765 0.74 CYP1A2 (0.48) RAB9AALDH1A1KMT2ANPC1CYP1A2
SCHEMBL11458040 0.74 L3MBTL1 (0.66) HDAC1MAPTLMNARAB9AMEN1
Phenol SCHEMBL28189885 0.70 NPSR1 (0.45) MAPTRAB9AKMT2AADORA3NPC1
SCHEMBL31262909 0.70 ERCC1 (0.69) HDAC1MAPTLMNARAB9AMEN1
SCHEMBL1870258 0.70 CA1 (0.49) HDAC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL6013464 0.70 MAOB (0.59) HDAC1MAPTLMNARAB9AMEN1
SCHEMBL1689206 0.69 EPHX2 (0.68) HDAC1MAPTMEN1KMT2AL3MBTL1
SCHEMBL10956691 0.69 MEN1 (0.63) HDAC1MAPTLMNARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089561-A Alkylcarbamylmethylated aminotriazine crosslinking agents and curable compositions containing the same AMERICAN CYANAMID COMPANY (US) 1992-02-18 — — US disclosed
US-5006653-A Oligomers; coatings resistant to detergent, brines, wear; fillers for binders, molds, insulation AMERICAN CYANAMID COMPANY (US) 1991-04-09 — — US disclosed
US-4710542-A PROTECTIVE COATINGS HAVING EXCELLENT RESISTANCE TO DETERGENTS AND BRINES AMERICAN CYANAMID COMPANY (US) 1987-12-01 — — US disclosed
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