SCHEMBL8970592

SCHEMBL8970592

CN(Cc1ccccc1)Cc1cccc(NC(=O)Nc2cc(C#N)ccc2C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
CCR3 P51677 7/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PPIA P62937 1/20 0.42
ROCK2 O75116 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8968160 0.84 CXCR2 (0.65) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968156 0.77 GAA (0.49) CXCR1CXCR2ALDH1A1ROCK2GAA
SCHEMBL8968213 0.77 CCR3 (0.47) CXCR1CXCR2CCR3ALDH1A1
SCHEMBL8968218 0.73 CYP11B1 (0.54) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8968747 0.72 CXCR1 (0.49) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL8970501 0.72 CXCR1 (0.45) CXCR1CXCR2MAPTMEN1KMT2A
SCHEMBL9314576 0.71 ABCB1 (0.58) ALOX15
SCHEMBL9314586 0.71 ABCB1 (0.58) ALOX15
SCHEMBL8970479 0.70 ALOX12 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8968165 0.70 NPC1 (0.52) CXCR1CXCR2MAPTMEN1KMT2A

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