SCHEMBL868781

SCHEMBL868781

CCCCCCCCOc1ccc(OCCCCc2cc(Br)sc2-c2cc(CCCCCC)c(Br)s2)c2c1C1c3ccccc3C2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 4/20 0.32
PTPN11 Q06124 2/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
CHUK O15111 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKCG P05129 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL863364 0.83 LTA4H (0.43) HTTSMN1; SMN2CNR1LMNANR1I2
SCHEMBL15247276 0.79 ALOX5 (0.33) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL863202 0.76 THRA (0.33) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL12887140 0.73 ALOX5 (0.36) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL31516132 0.72 PTPN11 (0.35) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL15724617 0.72 ALOX5 (0.36) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL15724614 0.70 ALOX5 (0.39) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL12622735 0.70 TYR (0.33) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL12610315 0.69
SCHEMBL10021733 0.69 ALOX5 (0.38) MEN1KMT2AHTTMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed