SCHEMBL7313601

SCHEMBL7313601

O=C(CCn1ccnc1)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
EGLN3 Q9H6Z9 1/20 0.57
QPCT Q16769 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TBXAS1 P24557 1/20 0.53
ROCK2 O75116 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL14255015 0.89 TBXAS1 (0.66) ALDH1A1QPCTKMT2AMEN1KDM4E
SCHEMBL14255017 0.89 TBXAS1 (0.66) ALDH1A1QPCTKMT2AMEN1KDM4E
SCHEMBL21076446 0.85 MGLL (0.62) ALDH1A1QPCTKDM4E
SCHEMBL11233244 0.81 KMT2A (0.68) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL11383621 0.80 TBXAS1 (0.76) KMT2AMEN1TBXAS1
SCHEMBL15190312 0.80 HPGD (0.69) EGLN3QPCTKMT2AMEN1SMN1; SMN2
SCHEMBL27425380 0.79 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1TP53KDM4E
SCHEMBL1775043 0.78 CYP1A2 (0.79) ALDH1A1QPCTKMT2AKDM4ESMN1; SMN2
SCHEMBL10457421 0.78 MAPK1 (0.58) ALDH1A1KMT2AMEN1KDM4EMAPK1
SCHEMBL3255191 0.77 TBXAS1 (0.78) EGLN3TBXAS1

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-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed