SCHEMBL7715411

SCHEMBL7715411

N#CCc1cc(-c2c[nH]c3ccccc23)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
KDM4E B2RXH2 4/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50

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
SCHEMBL7718225 0.83 ELANE (0.60) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7716159 0.82 ELANE (0.59) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7715931 0.82 ELANE (0.55) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7710318 0.77 TUBB4A (0.54) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17179315 0.76 TUBB4A (0.63) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7716152 0.75 MAPT (0.55) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17179402 0.74 TUBB4A (0.53) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29521038 0.73 MEN1 (0.62) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL149254 0.73 MEN1 (0.62) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7715419 0.73 KDM4E (0.81) ELANEMAPTALDH1A1SMN1; SMN2LMNA

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 3 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-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