SCHEMBL5557771

SCHEMBL5557771

CN1C(=O)N(C)C(c2cccc(Cl)c2)c2cc(C(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.38
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCR1 P32246 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.36
TP53 P04637 3/20 0.36
ALOX15 P16050 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5555500 0.80 MEN1 (0.47) MDM2TSHRFFAR1TP53MEN1
SCHEMBL13501490 0.79 ALDH1A1 (0.35) ALDH1A1HDAC1HDAC6TSHRALOX15
SCHEMBL1538326 0.79 MDM2 (0.40) MDM2TP53FNTAFNTBMEN1
SCHEMBL11658080 0.78 ATM (0.44) MEN1KMT2A
SCHEMBL4376572 0.78 MDM2 (0.39) MDM2HDAC1HDAC6TP53FNTA
SCHEMBL5561450 0.76 MDM2 (0.40) MDM2TP53FNTAFNTB
SCHEMBL5561828 0.72 CYP19A1 (0.47) FNTAFNTB
SCHEMBL5556203 0.72 FNTA (0.69) FNTAFNTB
SCHEMBL6585222 0.70 CYP1A2 (0.42) ALDH1A1TSHRALOX15MEN1KMT2A
SCHEMBL11764785 0.68 MEN1 (0.58) TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977750-B1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA NV (BE) 2007-07-04 EP disclosed
US-6358961-B1 ADMINISTERING QUINAZOLINE DERIVATIVE FOR INHIBITING TUMOR GROWTH IN MAMMALS JANNSEN-CILAG S.A. (FR) 2002-03-19 US disclosed
US-6177432-B1 ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS JANSSEN-CILAG S.A. (FR) 2001-01-23 US disclosed
EP-0977750-A1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998049157-A1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-05 WO disclosed