SCHEMBL904374

SCHEMBL904374

COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.66
MAPT P10636 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
ABCG2 Q9UNQ0 9/20 0.62
ABCB1 P08183 6/20 0.62
KIF11 P52732 5/20 0.54
SIRT1 Q96EB6 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL20704585 1.00 TP53 (0.66) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL20704712 1.00 TP53 (0.66) TP53MAPTSMN1; SMN2ABCG2ABCB1
Parachlorophenol SCHEMBL8510047 0.95 TP53 (0.61) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL11912929 0.92 TP53 (0.64) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL764584 0.91 TP53 (0.67) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL22238481 0.90 TP53 (0.64) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL11912901 0.90 TP53 (0.64) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL16549505 0.90 ABCG2 (0.74) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL17929671 0.90 ABCG2 (0.79) TP53MAPTSMN1; SMN2ABCG2ABCB1
Emvododstat SCHEMBL8509210 0.89 TP53 (0.62) TP53MAPTSMN1; SMN2ABCG2ABCB1

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-2435437-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC Therapeutics, Inc. (US) 2012-04-04 EP disclosed
WO-2010138644-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed
EP-2139476-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC Therapeutics, Inc. (US) 2010-01-06 EP disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed