SCHEMBL9234445

SCHEMBL9234445

Nc1nc2[nH]cnc2c(=O)n1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.44
▸ GRIN1 Q05586 5/20 0.42
▸ GRIN2B Q13224 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL17186428 0.89 CASR (0.42) MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL17186534 0.88 CASR (0.41) MAPTMEN1KMT2AKDM4E
SCHEMBL20970005 0.86 L3MBTL1 (0.44) PNPMAPTMEN1KMT2ATNIK
SCHEMBL1533545 0.85 MPO (0.48) PNPGRIN1GRIN2BMEN1KMT2A
SCHEMBL18247 0.85 PNP (0.59) PNPMAPTMEN1KMT2AKDM4E
SCHEMBL17186356 0.85 PNP (0.39) PNP
SCHEMBL1980958 0.84 PNP (0.57) PNPMAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL17186369 0.84 PNP (0.39) PNP
SCHEMBL4966788 0.82 PNP (0.44) PNPMAPTMEN1KMT2AKDM4E
SCHEMBL17186560 0.82 PNP (0.37) PNPMAPTMEN1KMT2AKDM4E

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
JP-7267955-A — — None — — JP disclosed
JP-H07267955-A BENZYLGUANINE DERIVATIVE TOAGOSEI CO LTD 1995-10-17 — — JP disclosed
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