SCHEMBL9208433

SCHEMBL9208433

Cc1cc(C2CC2)nc2nc(SCc3ccccc3)nn12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM1A O60341 4/20 0.54
KMT2A Q03164 1/20 0.52
CKS1B P61024 4/20 0.51
SKP2 Q13309 4/20 0.51
PDE10A Q9Y233 1/20 0.50
ABCB1 P08183 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL9831286 0.82 LMNA (0.75) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL9832641 0.81 PDE10A (0.61) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL9205539 0.81 ALDH1A1 (0.64) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL9831482 0.80 LMNA (0.59) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL9830427 0.78 ALDH1A1 (0.67) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL7850997 0.75 PDE10A (0.65) ALDH1A1PDE10A
SCHEMBL9831621 0.75 NPC1 (0.59) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL9833924 0.74 CKS1B (0.84) LMNAALDH1A1KDM1ACKS1BSKP2
SCHEMBL9220047 0.73 NPC1 (0.54) LMNAALDH1A1KDM1AKMT2ACKS1B
SCHEMBL9831745 0.73 ALDH1A1 (0.63) LMNAALDH1A1KDM1ACKS1BSKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378508-B1 Antidotes to modify the resistance of cultivated plants to agrochemical agents CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
EP-0434624-B1 Triazolylsulfonamides CIBA GEIGY AG (CH) 1995-02-08 EP disclosed
US-5217521-A Preemergence, postemergence herbicides CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5175289-A Antidotes for protecting cultivated plants from the phytotoxic action of herbicides CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
US-5041157-A Protecting soybeans or cereals CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
EP-0434624-A1 Triazolylsulfonamides CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
EP-0378508-A2 Antidotes to modify the resistance of cultivated plants to agrochemical agents CIBA-GEIGY AG (CH) 1990-07-18 EP disclosed