SCHEMBL28546334

SCHEMBL28546334

C(=CN1CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
PARP1 P09874 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NFE2L2 Q16236 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 1/20 0.42
TRPA1 O75762 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5572239 1.00 MAOB (0.50) MAOBPARP1SIGMAR1MEN1KMT2A
SCHEMBL6516804 0.90 KMT2A (0.48) MAOBPARP1MEN1KMT2AALDH1A1
SCHEMBL6516806 0.90 KMT2A (0.48) MAOBPARP1MEN1KMT2AALDH1A1
SCHEMBL31547211 0.89 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL13041010 0.89 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL31547213 0.88 HSP90AA1 (0.49) MAOBPARP1MEN1KMT2AALDH1A1
SCHEMBL3731571 0.88 HSP90AA1 (0.49) MAOBPARP1MEN1KMT2AALDH1A1
SCHEMBL5311679 0.88 HSP90AA1 (0.49) MAOBPARP1MEN1KMT2AALDH1A1
SCHEMBL6509083 0.84 RAB9A (0.54) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL28780298 0.84 PARP1 (0.53) PARP1MEN1KMT2AALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096149-B Process for the preparation of beta-arylamines 富兰克科技(深圳)股份有限公司 2021-02-26 CN disclosed
CN-109096149-A The preparation method of β arylamine 富兰克科技(深圳)股份有限公司 2018-12-28 CN disclosed