SCHEMBL9774792

SCHEMBL9774792

CN(c1nc2ccccc2s1)C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
IRAK4 Q9NWZ3 5/20 0.45
CXCR3 P49682 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHEK2 O96017 1/20 0.40

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
SCHEMBL8274718 0.92 KMT2A (0.49) EBPSIGMAR1IRAK4CXCR3MEN1
Oxalic Acid SCHEMBL9774612 0.85 NPC1 (0.49) EBPSIGMAR1IRAK4CXCR3MEN1
SCHEMBL5224391 0.84 KMT2A (0.55) EBPSIGMAR1IRAK4CXCR3MEN1
Hydrochloric Acid SCHEMBL6030424 0.83 KMT2A (0.54) EBPSIGMAR1IRAK4CXCR3MEN1
Bromide SCHEMBL8915312 0.83 KMT2A (0.54) EBPSIGMAR1IRAK4CXCR3MEN1
Bromide SCHEMBL9774783 0.82 KMT2A (0.52) EBPSIGMAR1IRAK4CXCR3MEN1
SCHEMBL9774665 0.80 KMT2A (0.47) EBPSIGMAR1IRAK4CXCR3MEN1
Bromide SCHEMBL9774708 0.79 KMT2A (0.46) EBPSIGMAR1IRAK4CXCR3MEN1
Bromide SCHEMBL9774712 0.79 KMT2A (0.46) EBPSIGMAR1IRAK4CXCR3MEN1
Bromide SCHEMBL9774707 0.79 KMT2A (0.46) EBPSIGMAR1IRAK4CXCR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 EP disclosed