SCHEMBL7787475

SCHEMBL7787475

Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCO.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
AKR1C3 P42330 1/20 0.37
ATM Q13315 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 4/20 0.35
RORC P51449 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7804324 0.95 RORC (0.34) KMT2AMYCMAXAKR1C3ATM
SCHEMBL7943547 0.90 ALDH1A1 (0.35) KMT2AMYCMAXALDH1A1MEN1
SCHEMBL7780234 0.90 RORC (0.37) KMT2AMYCMAXAKR1C3ATM
SCHEMBL7941487 0.87 ALDH1A1 (0.33) KMT2AMYCMAXALDH1A1MEN1
SCHEMBL6035691 0.86 ATM (0.48) KMT2AMYCMAXATMCTSV
SCHEMBL7787193 0.86 PTGS2 (0.42) KMT2AAKR1C3ATMCTSVCTSL
SCHEMBL7802467 0.85 ALDH1A1 (0.38) KMT2AMYCMAXAKR1C3ALDH1A1
SCHEMBL6036200 0.84 KMT2A (0.48) KMT2AMYCMAXAKR1C3CTSV
SCHEMBL6035827 0.82 IDO1 (0.44) KMT2AALDH1A1MEN1KDM4ETHRB
SCHEMBL6035378 0.80 MAP2K1 (0.48) KMT2AALDH1A1MEN1KDM4EMAPT

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-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed