SCHEMBL7908140

SCHEMBL7908140

S=C(NCc1ccncc1)NC1=CC[CH]C=C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 4/20 0.47
LSS P48449 1/20 0.47
PKM P14618 2/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.42
CA1 P00915 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
SCHEMBL7981937 0.86 MAOA (0.54) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL7905397 0.85 ALDH1A1 (0.59) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL7639607 0.81 TRPV1 (0.46)
SCHEMBL7908502 0.78 PLA2G1B (0.37) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL7644918 0.78 QPCT (0.45) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL7638276 0.78 MEN1 (0.50) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL7914787 0.75 MYC (0.48) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL6186210 0.72 HSD17B10 (0.49) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL7594773 0.71 MAPT (0.52) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL7599729 0.71 RAB9A (0.51) ALDH1A1LMNASMN1; SMN2MAPTGAA

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
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed