SCHEMBL6793787

SCHEMBL6793787

COC(=O)CNCCc1c(-c2ccc(C(=N)N)cc2)[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.40
F10 P00742 3/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PRSS1 P07477 1/20 0.39
KLK8 O60259 1/20 0.38
KLK6 Q92876 1/20 0.38
KLK14 Q9P0G3 1/20 0.38
KLK5 Q9Y337 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 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
Hydrochloric Acid SCHEMBL6793780 0.99 F2 (0.39) F2F10MTNR1AMTNR1BPRSS1
SCHEMBL6788580 0.91 F2 (0.40) F2F10PRSS1KLK8KLK6
SCHEMBL6788240 0.91 F2 (0.39) F2F10MTNR1AMTNR1BKDM4E
Hydrochloric Acid SCHEMBL6788575 0.90 KLK8 (0.40) F2F10PRSS1KLK8KLK6
Hydrochloric Acid SCHEMBL6788234 0.90 F2 (0.39) F2F10MTNR1AMTNR1BKDM4E
Hydrochloric Acid SCHEMBL6792544 0.88 F2 (0.43) F2F10PRSS1
SCHEMBL6785548 0.83 F2 (0.39) F2F10MTNR1AMTNR1BPRSS1
SCHEMBL6788626 0.83 F2 (0.39) F2F10MTNR1AMTNR1BPRSS1
Hydrochloric Acid SCHEMBL6788621 0.82 F2 (0.39) F2F10MTNR1AMTNR1BPRSS1
Hydrochloric Acid SCHEMBL6785540 0.82 F2 (0.39) F2F10MTNR1AMTNR1BPRSS1

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-6699862-B1 ANTITUMOR PFIZER INC. 2004-03-02 US claimed