SCHEMBL13753654

SCHEMBL13753654

CC(CCC(N)=O)NC(=O)c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HSP90AA1 P07900 1/20 0.47

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
SCHEMBL20717755 0.86 ALDH1A1 (0.65) SMN1; SMN2KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL13753789 0.85 HPGD (0.51) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL13753637 0.85 ATM (0.64) SMN1; SMN2ALDH1A1L3MBTL1LMNARAB9A
SCHEMBL13753638 0.84 HPGD (0.64) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL13753786 0.83 HPGD (0.65) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL13753788 0.82 ALDH1A1 (0.59) SMN1; SMN2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL13753787 0.82 TAS1R3 (0.61) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL13753648 0.81 NPSR1 (0.65) ALDH1A1LMNARAB9AHTTKMT2A
SCHEMBL13753288 0.80 ALDH1A1 (0.61) SMN1; SMN2KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL13753287 0.80 ALDH1A1 (0.61) SMN1; SMN2KDM4EMAPTALDH1A1L3MBTL1

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
Send feedback