SCHEMBL14064652

SCHEMBL14064652

COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(c3ccc(C)cc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMCHD1 A6NHR9 1/20 0.40
MYO1G B0I1T2 1/20 0.40
AIP O00170 1/20 0.40
AP3B1 O00203 1/20 0.40
PSMD11 O00231 1/20 0.40
CDC7 O00311 1/20 0.40
SAP18 O00422 1/20 0.40
KPNA3 O00505 1/20 0.40
PPP6C O00743 1/20 0.40
TCERG1 O14776 1/20 0.40
UBE2L6 O14933 1/20 0.40
PPP1R12A O14974 1/20 0.40
U2SURP O15042 1/20 0.40
SETD1A O15047 1/20 0.40
ARPC1B O15143 1/20 0.40

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
SCHEMBL2264509 0.97 BRD4 (0.44) BRD4TP53LMNAMEN1KMT2A
SCHEMBL12172317 0.92 BRD4 (0.41) BRD4TP53LMNAMEN1KMT2A
SCHEMBL12099215 0.90 BRD4 (0.40) BRD4TP53LMNAMEN1KMT2A
SCHEMBL2602023 0.90 BRD4 (0.40) BRD4TP53LMNAMEN1KMT2A
SCHEMBL12099217 0.90 BRD4 (0.40) BRD4TP53LMNAMEN1KMT2A
SCHEMBL2119771 0.88 BRD4 (0.40) BRD4TP53LMNAMEN1KMT2A
SCHEMBL2119819 0.88 TSHR (0.39) BRD4TP53LMNAMEN1KMT2A
SCHEMBL2117122 0.88 ROCK2 (0.42) BRD4TP53LMNAMEN1KMT2A
SCHEMBL2117354 0.88 TSHR (0.40) BRD4TP53LMNAMEN1KMT2A
SCHEMBL2262882 0.87 BRD4 (0.39) BRD4TP53LMNAMEN1KMT2A

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-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO disclosed