SCHEMBL8333832

SCHEMBL8333832

c1ccc(N2CCN(c3c[nH]cn3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLD1 Q13393 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SORD Q00796 1/20 0.48

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
SCHEMBL21353591 0.83 — —
SCHEMBL29857922 0.83 PLD1 (0.73) PLD1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL15800694 0.83 PLD1 (0.73) PLD1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL159733 0.78 PLD1 (0.61) PLD1ALDH1A1KDM4EMAPTPOLB
SCHEMBL29904791 0.78 PLD1 (0.61) PLD1ALDH1A1KDM4EMAPTPOLB
SCHEMBL13711971 0.77 KCNH2 (0.71) ALDH1A1POLBKCNH2HTR1A
SCHEMBL5548801 0.76 HRH4 (0.44) ALDH1A1KDM4E
SCHEMBL29462629 0.75 PLD1 (0.68) PLD1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL230367 0.75 PLD1 (0.68) PLD1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL18228078 0.75 PLD1 (0.68) PLD1ALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 — — WO claimed
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