SCHEMBL6812342

SCHEMBL6812342

Nc1nc(-c2ccc(F)cc2)cn1/N=C/c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.82
TAAR1 Q96RJ0 1/20 0.82
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A3 P47895 2/20 0.42
TLR8 Q9NR97 2/20 0.41
EGFR P00533 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41

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
SCHEMBL6812347 1.00 MAPT (0.82) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL3861230 0.95 MAPT (0.82) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL3861723 0.95 MAPT (0.82) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL6812618 0.90 MAPT (0.94) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL6812622 0.90 MAPT (0.94) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL27077145 0.90 MAPT (1.00) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL13743142 0.81 MAPT (0.76) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL13714629 0.79 MAPT (0.58) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL7858387 0.78 MAPT (1.00) MAPTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL6811797 0.75 MAPT (0.64) MAPTTAAR1ALDH1A1MEN1KMT2A

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-0808309-B1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS S-ADENOSYLMETHIONINE DECARBOXYLASE (=SAMDC) INHIBITORS NOVARTIS AG (CH) 2004-10-06 EP disclosed
US-5840911-A ANTIPROTOZOA, ANTITUMOR NOVARTIS AG (CH) 1998-11-24 US disclosed