SCHEMBL7030709

SCHEMBL7030709

C[C@@]1(c2ccc(C(=N)N)cc2)C(=O)N(CC(=O)O)C(=O)N1Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CTRB1 P17538 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
PLAU P00749 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
F10 P00742 5/20 0.37
F2 P00734 3/20 0.37
F7 P08709 1/20 0.37
PRSS1 P07477 2/20 0.36
PLG P00747 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
OPRL1 P41146 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
PROC P04070 1/20 0.36

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
SCHEMBL7033896 1.00 KMT2A (0.46) KMT2ACTRB1FNTAFNTBITGB3
Hydrochloric Acid SCHEMBL7439321 0.99 KMT2A (0.45) KMT2ACTRB1FNTAFNTBITGB3
Hydrochloric Acid SCHEMBL7439342 0.99 KMT2A (0.45) KMT2ACTRB1FNTAFNTBITGB3
SCHEMBL7033111 0.89 ITGB3 (0.43) KMT2AFNTAFNTBITGB3ITGA2B
SCHEMBL7034269 0.89 ITGB3 (0.43) KMT2AFNTAFNTBITGB3ITGA2B
SCHEMBL7433506 0.89 KMT2A (0.45) KMT2ACTRB1FNTAFNTBHDAC6
SCHEMBL7433517 0.89 KMT2A (0.45) KMT2ACTRB1FNTAFNTBHDAC6
Hydrochloric Acid SCHEMBL6701564 0.88 ITGB3 (0.42) KMT2AFNTAFNTBITGB3ITGA2B
Hydrochloric Acid SCHEMBL6701572 0.88 ITGB3 (0.42) KMT2AFNTAFNTBITGB3ITGA2B
Hydrochloric Acid SCHEMBL8339715 0.87 KMT2A (0.43) KMT2AFNTAFNTBHDAC6F10

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-0823898-B1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AG (DE) 2003-02-26 EP disclosed
US-5939556-A Hydantoin compounds, salts thereof, processes for their preparation, and processes for preparing pharmaceutically active compounds comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed