SCHEMBL10546758

SCHEMBL10546758

CN(Cc1cccc(Br)c1)C(=O)c1ccc(C(=O)CBr)o1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ PYCR1 P32322 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD17B1 P14061 4/20 0.40
▸ HSD17B2 P37059 4/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL10548973 0.87 RIPK1 (0.53) RIPK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL10544009 0.84 ALDH1A1 (0.42) RIPK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL10549648 0.83 PDK1 (0.45) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL10546564 0.79 ALDH1A1 (0.51) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10547048 0.78 TP53 (0.48) RIPK1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6182681 0.75 KMT2A (0.69) RIPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL10548744 0.75 MLYCD (0.48) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL2634610 0.74 RIPK1 (0.64) RIPK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL662742 0.74 RIPK1 (0.64) RIPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL10546095 0.74 KMT2A (0.44) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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
Send feedback