SCHEMBL7848388

SCHEMBL7848388

Nc1c(C(=O)O)sc2c(Cl)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.42
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMO O15229 1/20 0.37
CDC7 O00311 3/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
EEF2K O00418 1/20 0.37
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
INSR P06213 1/20 0.37
CDK1 P06493 1/20 0.37
CSF1R P07333 1/20 0.37
IGF1R P08069 1/20 0.37
ROS1 P08922 1/20 0.37

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
SCHEMBL22442094 0.83 GPR35 (0.41) LIMK1KDM5AKDM4CSMN1; SMN2KMO
SCHEMBL7846539 0.82 ALDH1A1 (0.47) LIMK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7835505 0.77 IKBKB (0.50) LIMK1KDM4CSMN1; SMN2KMOCDC7
SCHEMBL31456425 0.76 LIMK1 (0.38) LIMK1SMN1; SMN2KMOCDC7HAVCR2
SCHEMBL27448637 0.73 KDM4E (0.42) LIMK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22866463 0.73 EIF4EBP1 (0.36) KDM5AKDM4CKMOMEN1KMT2A
SCHEMBL29560032 0.73 EIF4EBP1 (0.36) KDM5AKDM4CKMOMEN1KMT2A
SCHEMBL1698022 0.73 IKBKB (0.42) LIMK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22866853 0.72 KDM5A (0.46) KDM5AKDM4CSMN1; SMN2KMOKDM4E
SCHEMBL8507168 0.72 LIMK1 (0.77) LIMK1KDM4CSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 EP disclosed
US-6046207-A FOR INHIBITING ALPHA-1 ADRENORECEPTORS AND TREATING BENIGN PROSTATIC HYPERPLASIA, ALSO CALLED BENIGN PROSTATIC HYPERTROPHY, OR OTHER UROLOGICAL OR GYNECOLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER ABBOTT LABORATORIES 2000-04-04 US disclosed
EP-0942911-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS Abbott Laboratories (US) 1999-09-22 EP disclosed
US-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed
WO-1998024791-A1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-06-11 WO disclosed