SCHEMBL9756835

SCHEMBL9756835

O=C(c1cccc(I)c1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 4/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
RECQL P46063 1/20 0.46
HPGD P15428 2/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3444657 0.87 KMT2A (0.56) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL3840674 0.85 POLB (0.51) KMT2AALDH1A1MAPTPOLBATM
SCHEMBL7455315 0.84 AKR1C3 (0.59) KMT2AALDH1A1MAPTPOLBATM
SCHEMBL3841059 0.82 ATM (0.55) KMT2AALDH1A1MAPTPOLBATM
SCHEMBL3179857 0.82 RECQL (0.57) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL11504460 0.81 ALDH1A1 (0.57) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL29385980 0.80 KMT2A (0.62) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL16628012 0.79 MAPT (0.65) ALDH1A1MAPTLMNAPOLBATM
SCHEMBL28879955 0.79 MAPT (0.61) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL49873 0.79 KMT2A (0.65) KMT2AALDH1A1MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045629-A Contacting with steam PHILLIPS PETROLEUM COMPANY (US) 1991-09-03 US disclosed
US-5037954-A Method to recover liquified poly(arylene sulfide) with separation agent PHILLIPS PETROLEUM COMPANY (US) 1991-08-06 US disclosed
EP-0436120-A2 Method to recover poly(arylene sulfide)s PHILLIPS PETROLEUM COMPANY (US) 1991-07-10 EP disclosed
US-4963651-A VAPOR PHASE SEPARATION; COOLING, SOLIDIFYING, SLURRYING PHILLIPS PETROLEUM COMPANY (US) 1990-10-16 US disclosed