SCHEMBL9066890

SCHEMBL9066890

Cc1cc(C)cc(OCC(C)Nc2nc(N)nc(C(C)(C)Cl)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
TPH1 P17752 1/20 0.31
SYK P43405 1/20 0.31
KMT2A Q03164 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL117903 0.88 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL22188696 0.88 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL29352185 0.88 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
Bromomethane SCHEMBL3305907 0.86 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL9292263 0.82 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL8734802 0.81 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BTPH1
SCHEMBL8984978 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL14567627 0.79 SCN9A (0.30) TPH1
SCHEMBL7030028 0.78 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1BSYK
SCHEMBL8368006 0.78 IDH1 (0.32) HTR7ADRA1DADRA1AADRA1BSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469406-B1 Herbicidal compositions IDEMITSU KOSAN CO (JP) 1996-01-17 EP claimed
EP-0471221-B1 Herbicidal compositions IDEMITSU KOSAN CO (JP) 1995-05-03 EP claimed
EP-0471284-B1 Herbicidal compositions IDEMITSU KOSAN CO (JP) 1995-01-18 EP claimed
EP-0467204-B1 Herbicidal compositions IDEMITSU KOSAN CO (JP) 1994-12-28 EP claimed
US-5234893-A Post and pre-emergence; borad leaf weeds and gramineae weeds IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-08-10 US claimed
EP-0471221-A1 Herbicidal compositions IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-02-19 EP claimed
EP-0471284-A1 Herbicidal compositions IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-02-19 EP claimed
EP-0471221-B1 Herbicidal compositions IDEMITSU KOSAN CO (JP) 1995-05-03 EP disclosed
EP-0464518-B1 Herbicidal compositions IDEMITSU KOSAN CO (JP) 1994-12-28 EP disclosed
US-5169425-A Synergistic mixture IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-12-08 US disclosed
EP-0471221-A1 Herbicidal compositions IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-02-19 EP disclosed