SCHEMBL10548973

SCHEMBL10548973

CC(=O)c1ccc(C(=O)N(C)Cc2cccc(Br)c2)o1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PYCR1 P32322 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ MAOB P27338 4/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B1 P14061 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL10546758 0.87 RIPK1 (0.51) RIPK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL10549243 0.82 ALDH1A1 (0.44) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10547820 0.81 PDK1 (0.47) ALDH1A1LMNAKMT2AMEN1MAOB
SCHEMBL662742 0.79 RIPK1 (0.64) RIPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL6182681 0.77 KMT2A (0.69) RIPK1ALDH1A1HPGDKMT2AMEN1
SCHEMBL2634610 0.76 RIPK1 (0.64) RIPK1ALDH1A1LMNAHPGDKMT2A
SCHEMBL10543666 0.76 ALDH1A1 (0.55) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL10544372 0.75 RIPK1 (0.51) RIPK1LMNARAB9ASMN1; SMN2
SCHEMBL29565583 0.74 RIPK1 (0.65) RIPK1KMT2AMEN1PYCR1PTGES
SCHEMBL28958770 0.73 HSP90AA1 (0.58) RIPK1ALDH1A1LMNAHPGDKMT2A

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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