SCHEMBL7710318

SCHEMBL7710318

NC=CCc1cc(-c2c[nH]c3ccccc23)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
ELANE P08246 2/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL7715931 0.83 ELANE (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7718225 0.81 ELANE (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7716159 0.80 ELANE (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7715411 0.77 ELANE (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7716152 0.76 MAPT (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9060407 0.75 HTR2A (0.61) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL17179315 0.74 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7713938 0.72 AR (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7710271 0.72 MAPT (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7710310 0.72 ELANE (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376670-B1 BACTERICIDE FOR GRAMPOSITIVE BACTERIA SEPRACOR INC. 2002-04-23 US disclosed
US-6207679-B1 FOR INHIBITING GROWTH OF BACTERIAL MICROORGANISMS SEPRACOR, INC. 2001-03-27 US disclosed
US-6172084-B1 BACTERICIDES AGAINST ANTIBIOTIC RESISTANT STRAINS OF STAPHYLOCOCCUS, STREPTOCOCCUS AND ENTEROCOCCUS SEPRACOR, INC. 2001-01-09 US disclosed
US-6103905-A EFFECTIVE AGAINST DRUG RESISTANT GRAMPOSITIVE BACTERIAL INFECTIONS; ANTIBIOTICS SEPRACOR, INC. (US) 2000-08-15 US disclosed
WO-2000034265-A2 QUINOLINE-INDOLE ANTIMICROBIAL AGENTS SEPRACOR, INC. (US) 2000-06-15 WO disclosed
EP-0991623-A2 QUINOLINE-INDOLE ANTIMICROBIAL AGENTS, USES AND COMPOSITIONS RELATED THERETO SEPRACOR, INC. (US) 2000-04-12 EP disclosed
WO-1998057931-A2 QUINOLINE-INDOLE ANTIMICROBIAL AGENTS, USES AND COMPOSITIONS RELATED THERETO SEPRACOR INC. (US) 1998-12-23 WO disclosed