SCHEMBL11116546

SCHEMBL11116546

CC(C)Oc1ccc(C(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.65
KMT2A Q03164 1/20 0.61
ELANE P08246 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A3 P47895 1/20 0.44
MAPK1 P28482 1/20 0.44
SRD5A2 P31213 1/20 0.44
SCN5A Q14524 1/20 0.43

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
SCHEMBL2517350 0.90 KMT2A (0.73) PARP10KMT2AELANEGLAPOLB
SCHEMBL19346956 0.85 KMT2A (0.61) PARP10KMT2AELANEGLAPOLB
SCHEMBL47295 0.84 CYP1A2 (0.56) PARP10KMT2AELANEALDH1A1LMNA
SCHEMBL5563 0.84 PARP10 (0.54) PARP10KMT2AGLAPOLBALDH1A1
SCHEMBL18978115 0.83 KMT2A (0.69) PARP10KMT2AELANEALDH1A1LMNA
SCHEMBL5943354 0.83 KMT2A (0.63) PARP10KMT2AELANEGLAPOLB
SCHEMBL1534312 0.83 KMT2A (0.69) PARP10KMT2AELANEALDH1A1LMNA
SCHEMBL18997928 0.83 KMT2A (0.63) PARP10KMT2AELANEGLAPOLB
SCHEMBL20496485 0.83 KMT2A (0.63) PARP10KMT2AELANEGLAPOLB
SCHEMBL11574479 0.83 KMT2A (0.63) PARP10KMT2AELANEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed