SCHEMBL8000376

SCHEMBL8000376

CS(=O)(=O)Oc1cccc2nc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLA P06280 4/20 0.47
KDM4E B2RXH2 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PTBP1 P26599 1/20 0.47
RCE1 Q9Y256 1/20 0.47
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
MAPT P10636 2/20 0.42
ACHE P22303 1/20 0.42
NQO2 P16083 2/20 0.40
PDE10A Q9Y233 1/20 0.39
TOP2B Q02880 2/20 0.39
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL3252424 0.82 ALDH1A1 (0.45) ALDH1A1GLAKDM4ERAB9AHPGD
SCHEMBL3482953 0.81 ALDH1A1 (0.44) ALDH1A1GLAKDM4ERAB9AHPGD
SCHEMBL7094916 0.80 GAA (0.54) ALDH1A1GLAKDM4ERAB9AHPGD
SCHEMBL20509016 0.80 TUBB4A (0.42) ALDH1A1KDM4ERAB9AHPGDKMT2A
SCHEMBL3482649 0.80 ALDH1A1 (0.43) ALDH1A1GLAKDM4ERAB9AHPGD
SCHEMBL28934981 0.79 TUBB4A (0.41) ALDH1A1KDM4ERAB9AHPGDKMT2A
Ammonia Solution, Strong SCHEMBL28934994 0.79 TUBB4A (0.41) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL28935137 0.79 TUBB4A (0.41) ALDH1A1KDM4ERAB9AHPGDKMT2A
SCHEMBL28935121 0.79 TUBB4A (0.41) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL28935071 0.79 TUBB4A (0.41) ALDH1A1KDM4ERAB9AHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804414-A4 COMPLEMENTARY DNA AND TOXINS SLOAN KETTERING INST CANCER (US) 2000-04-12 EP disclosed
EP-0804414-A1 COMPLEMENTARY DNA AND TOXINS Sloan-Kettering Institute For Cancer Research (US) 1997-11-05 EP disclosed
US-5652350-A Complementary DNA and toxins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-07-29 US disclosed
US-5571937-A VIRICIDES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-11-05 US disclosed
WO-1995031434-A1 COMPLEMENTARY DNA AND TOXINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-11-23 WO disclosed