SCHEMBL11080507

SCHEMBL11080507

CN(C)Cc1ccc(C=CC(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.53
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
ALOX5 P09917 1/20 0.42
HCAR2 Q8TDS4 4/20 0.41
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL11080502 1.00 TBXAS1 (0.53) TBXAS1KMT2AMAPK1ALOX5HCAR2
SCHEMBL5849817 0.81 KMT2A (0.56) TBXAS1KMT2AMAPK1HCAR2RAB9A
SCHEMBL5849815 0.81 KMT2A (0.56) TBXAS1KMT2AMAPK1HCAR2RAB9A
SCHEMBL11077678 0.81 CA12 (0.46) TBXAS1KMT2AALOX5HCAR2RAB9A
SCHEMBL11077680 0.81 CA12 (0.46) TBXAS1KMT2AALOX5HCAR2RAB9A
SCHEMBL8920408 0.76 MAPK1 (0.66) TBXAS1KMT2AMAPK1ALOX5HCAR2
SCHEMBL8920416 0.76 MAPK1 (0.66) TBXAS1KMT2AMAPK1ALOX5HCAR2
SCHEMBL11075658 0.75 ALDH1A1 (0.42) KMT2AALOX5RAB9AALDH1A1HTT
SCHEMBL11124268 0.75 KMT2A (0.53) TBXAS1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL11124265 0.75 KMT2A (0.53) TBXAS1KMT2AMAPK1RAB9AALDH1A1

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-0039989-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-08-29 EP disclosed
US-4388317-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US disclosed
EP-0039989-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-18 EP disclosed