SCHEMBL8667778

SCHEMBL8667778

COc1ccc(-c2ncc(NC(=O)NC(=O)c3ccccc3Cl)nc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.51
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CNR1 P21554 1/20 0.47
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PYGL P06737 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
CLK1 P49759 1/20 0.43
PKM P14618 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.42
CHRNA7 P36544 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 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
SCHEMBL11388831 0.91 GCGR (0.45) GHSRRAB9AALDH1A1CNR1PYGL
SCHEMBL11380577 0.90 NPC1 (0.49) RAB9AALDH1A1CNR1TP53MAPT
SCHEMBL11373545 0.90 CNR1 (0.44) GHSRRAB9AALDH1A1CNR1PYGL
SCHEMBL11379838 0.90 CNR1 (0.46) GHSRRAB9AALDH1A1CNR1PYGL
SCHEMBL11371270 0.90 SMO (0.47) RAB9AALDH1A1PYGLNPC1PKM
SCHEMBL11384812 0.90 SMO (0.47) GHSRRAB9AALDH1A1PYGLNPC1
SCHEMBL11525153 0.89 MAPT (0.50) GHSRRAB9AALDH1A1CNR1TP53
SCHEMBL11370506 0.88 GAA (0.42) GHSRRAB9AALDH1A1PYGLTP53
SCHEMBL7628324 0.88 PCTP (0.42) GHSRRAB9AALDH1A1PYGLTP53
SCHEMBL11373838 0.86 POLB (0.43) GHSRRAB9APYGLTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-5776981-A Use of acyl urea compounds for controlling endoparasites and ectoparasites of warm-blooded animals NOVARTIS CORPORATION (US) 1998-07-07 US disclosed
US-5776982-A Use of acyl urea compounds for controlling endoparasites and ectoparasites of warm-blooded animals NOVARTIS CORPORATION (US) 1998-07-07 US disclosed
US-5420163-A Insecticides or miticides CIBA-GEIGY (US) 1995-05-30 US disclosed
US-5135953-A Oral or injections; cattle, swine, poultry CIBA-GEIGY (US) 1992-08-04 US disclosed
EP-0211004-A1 USE OF ACYL UREA COMPOUNDS FOR CONTROLLING ENDOPARASITES AND ECTOPARASITES OF WARM-BLOODED ANIMALS RHONE-POULENC NEDERLAND B.V. (NL) 1987-02-25 EP disclosed
WO-1986003941-A1 USE OF ACYL UREA COMPOUNDS FOR CONTROLLING ENDOPARASITES AND ECTOPARASITES OF WARM-BLOODED ANIMALS UNION CARBIDE CORPORATION (US) 1986-07-17 WO disclosed
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed