SCHEMBL9513445

SCHEMBL9513445

CCCCc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 15/20 0.55
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP7 Q93009 1/20 0.44

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
SCHEMBL9510613 0.94 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL9511543 0.94 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL18653119 0.90 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL28185595 0.87 TSHR (0.51) VCAM1ALDH1A1USP7
SCHEMBL83731 0.83 ALDH1A1 (0.50) ALDH1A1
SCHEMBL811582 0.83 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL12708634 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL11189724 0.81 VCAM1 (0.44) VCAM1ALDH1A1MEN1KMT2AUSP7
SCHEMBL2647110 0.81 SKP2 (0.56) ALDH1A1POLBMEN1KMT2A
SCHEMBL1025706 0.81 POLB (0.51) ALDH1A1KDM4EPOLB

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
EP-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 EP disclosed