SCHEMBL8970501

SCHEMBL8970501

CC(C)(C)c1ccc(C#N)cc1NC(=O)Nc1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GRM5 P41594 4/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40
PDE10A Q9Y233 2/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8968218 0.87 CYP11B1 (0.54) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968747 0.86 CXCR1 (0.49) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968160 0.83 CXCR2 (0.65) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968172 0.80 RAB9A (0.52) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL8968165 0.76 NPC1 (0.52) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968156 0.72 GAA (0.49) CXCR1CXCR2ALDH1A1TSHRHTT
SCHEMBL8970592 0.72 CXCR1 (0.47) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968199 0.71 ABCC9 (0.45) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL8968203 0.71 ABCC9 (0.45) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3160036 0.70 IDO1 (0.65) P2RY1IDO1

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
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP claimed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed