SCHEMBL8947103

SCHEMBL8947103

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
RORC P51449 8/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
PPARG P37231 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL20051373 0.86 KMT2A (0.63) KMT2AMEN1RORCMAPTLMNA
SCHEMBL20051726 0.84 KMT2A (0.60) KMT2AMEN1RORCMAPTLMNA
SCHEMBL4695652 0.83 KMT2A (0.66) KMT2AMEN1RORCMAPTLMNA
SCHEMBL15610188 0.82 RAB9A (0.64) KMT2AMEN1RORCMAPTLMNA
SCHEMBL1645411 0.82 MEN1 (0.58) KMT2AMEN1RORCMAPTLMNA
SCHEMBL20051723 0.81 KMT2A (0.57) KMT2AMEN1RORCMAPTLMNA
SCHEMBL20051412 0.81 MEN1 (0.59) KMT2AMEN1RORCMAPTLMNA
SCHEMBL21581972 0.80 ALDH1A1 (0.58) LMNACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL18150535 0.80 MEN1 (0.56) KMT2AMEN1RORCMAPTLMNA
SCHEMBL18150414 0.80 KMT2A (0.62) KMT2AMEN1RORCMAPTLMNA

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