SCHEMBL11005229

SCHEMBL11005229

COC(CCCOc1ccc(F)cc1)(Cn1cncn1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 3/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL10882986 0.89 KMT2A (0.58) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL11001002 0.83 KMT2A (0.63) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL9833601 0.77 KMT2A (0.47) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL9834872 0.77 KMT2A (0.47) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL10391870 0.76 ALDH1A1 (0.68) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL9007847 0.74 ALDH1A1 (0.68) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL10550406 0.73 ALDH1A1 (0.60) KMT2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL11006464 0.73 ALDH1A1 (0.57) KMT2AALDH1A1CYP3A4MEN1LMNA
SCHEMBL20030387 0.72 KMT2A (0.65) KMT2AALDH1A1CYP3A4LMNACYP1A2
SCHEMBL9662635 0.71 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2CYP3A4MEN1

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-0150036-A1 Azolyl-aryl-alkanole-derivatives, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-31 EP claimed