SCHEMBL10544009

SCHEMBL10544009

CC(C)c1cccc(CN(C)C(=O)c2ccc(C(=O)CBr)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSD17B1 P14061 4/20 0.38
▸ HSD17B2 P37059 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RIPK1 Q13546 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
SCHEMBL10549243 0.86 ALDH1A1 (0.44) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10546758 0.84 RIPK1 (0.51) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10549648 0.80 PDK1 (0.45) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL10546564 0.76 ALDH1A1 (0.51) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10547048 0.75 TP53 (0.48) ALDH1A1LMNAHPGDSMN1; SMN2RAB9A
SCHEMBL22971541 0.75 MEN1 (0.49) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10548744 0.72 MLYCD (0.48) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10546095 0.71 KMT2A (0.44) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10548973 0.71 RIPK1 (0.53) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL28958770 0.69 HSP90AA1 (0.58) ALDH1A1LMNAHPGDKMT2AMEN1

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
US-4814341-A HISTAMINE H2 ANTAGONISTS REITER LAWRENCE A (US) 1989-03-21 — — US disclosed
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