SCHEMBL7716159

SCHEMBL7716159

ClCc1cc(-c2c[nH]c3ccccc23)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.59
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53

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 0.87 ELANE (0.60) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7715931 0.86 ELANE (0.55) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7715411 0.82 ELANE (0.52) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7710318 0.80 TUBB4A (0.54) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL17179315 0.79 TUBB4A (0.63) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7716152 0.78 MAPT (0.55) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7715419 0.76 KDM4E (0.81) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4270886 0.75 ACHE (0.58) ALDH1A1SMN1; SMN2LMNACYP2C9KDM4E
SCHEMBL17179411 0.74 AR (0.60) ELANEMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7713938 0.74 AR (0.64) MAPTALDH1A1SMN1; SMN2LMNACYP1A2

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 2 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