SCHEMBL8947340

SCHEMBL8947340

COC(=O)Cn1nnnc1-c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.45
BID P55957 1/20 0.45
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
RORC P51449 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
SCHEMBL8947081 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL8947241 0.80 LMNA (0.46) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8947255 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL8947264 0.79 P2RX7 (0.49) ALDH1A1KDM4E
SCHEMBL926356 0.76 LMNA (0.56) LMNAALDH1A1RAB9A
SCHEMBL8947269 0.74 TRPV1 (0.43) POLBLMNAALDH1A1L3MBTL1MEN1
SCHEMBL8947317 0.71 ALDH1A1 (0.57) POLBLMNAALDH1A1KDM4EKMT2A
SCHEMBL8947311 0.71 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1
SCHEMBL8947250 0.71 TRPV1 (0.48) LMNAALDH1A1KDM4EKMT2A
SCHEMBL8947336 0.70 TRPV1 (0.56) POLBLMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed