SCHEMBL11643296

SCHEMBL11643296

CC(=O)c1ccc(Oc2cccc(NC(=O)C(C)N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.52
MTNR1B P49286 1/20 0.51
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.47
HPSE Q9Y251 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
PLAU P00749 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11689526 0.92 XIAP (0.46) XIAPMTNR1BMAPTALDH1A1POLB
SCHEMBL11645332 0.89 MTNR1B (0.53) XIAPMTNR1BRAB9AMAPTHPGD
SCHEMBL11645434 0.88 XIAP (0.58) XIAPMTNR1BRAB9AMAPTHPGD
SCHEMBL11642384 0.87 MTNR1B (0.61) XIAPMTNR1BRAB9AALDH1A1SMN1; SMN2
SCHEMBL11646067 0.87 XIAP (0.54) XIAPMTNR1BRAB9AMAPTHPGD
SCHEMBL11642716 0.87 MTNR1B (0.64) XIAPMTNR1BRAB9AHPGDALDH1A1
SCHEMBL11646697 0.86 MTNR1B (0.45) MTNR1BRAB9AMAPTHPGDALDH1A1
SCHEMBL11641419 0.86 XIAP (0.49) XIAPMTNR1BRAB9AALDH1A1POLB
SCHEMBL11643262 0.86 XIAP (0.59) XIAPMTNR1BRAB9AMAPTHPGD
SCHEMBL11644482 0.86 XIAP (0.60) XIAPMTNR1BMAPTALDH1A1POLB

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
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed