SCHEMBL10038665

SCHEMBL10038665

C(=N\Nc1nc2ccccc2s1)\c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.65
▸ RAB9A P51151 14/20 0.65
▸ NPC1 O15118 14/20 0.65
▸ GAA P10253 12/20 0.65
▸ KMT2A Q03164 11/20 0.65
▸ MEN1 O00255 10/20 0.65
▸ SMN1; SMN2 Q16637 10/20 0.65
▸ NFKB1 P19838 4/20 0.65
▸ NFKB2 Q00653 4/20 0.65
▸ RELA Q04206 4/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ POLB P06746 1/20 0.65
▸ PAX8 Q06710 1/20 0.65
▸ LMNA P02545 4/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ TP53 P04637 2/20 0.59
▸ HPGD P15428 2/20 0.57
▸ MAOA P21397 2/20 0.57

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
SCHEMBL1231354 0.90 MAPT (0.70) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL1231353 0.90 MAPT (0.70) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL1165591 0.84 MAPT (0.68) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL1165592 0.84 MAPT (0.68) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL28684828 0.81 MAPT (0.61) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL6711569 0.79 MAPT (1.00) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL6711572 0.79 MAPT (1.00) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL21010612 0.79 MAPT (0.68) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL13779288 0.79 MAPT (0.75) MAPTRAB9ANPC1GAAKMT2A
SCHEMBL22103769 0.78 MAPT (0.64) MAPTRAB9ANPC1GAAKMT2A

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
EP-2630481-B1 A method and kit for detecting alkylating agents UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) 2017-09-13 — — EP disclosed
WO-2012052747-A2 A METHOD AND DEVICE FOR DETECTING ALKYLATING AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-04-26 — — WO disclosed
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