SCHEMBL27286175

SCHEMBL27286175

Cc1cccc(Br)c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
IDH1 O75874 1/20 0.45
CALM1 P0DP23 1/20 0.42
CTRC Q99895 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NQO1 P15559 1/20 0.36
MAPT P10636 1/20 0.36
ALKBH3 Q96Q83 1/20 0.35
LTA4H P09960 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7918609 0.85 CALM1 (0.52) IDH1CALM1SMN1; SMN2NPC1RAB9A
SCHEMBL27277755 0.84 IDH1 (0.45) ALDH1A1IDH1CALM1HPGDNQO1
SCHEMBL29532678 0.79 IDH1 (0.47) IDH1CALM1SMN1; SMN2NPC1RAB9A
SCHEMBL146769 0.79 IDH1 (0.47) IDH1CALM1SMN1; SMN2NPC1RAB9A
SCHEMBL9719201 0.79 IDH1 (0.47) IDH1CALM1SMN1; SMN2NPC1RAB9A
SCHEMBL10504634 0.78 IDH1 (0.44) ALDH1A1IDH1CALM1HPGDNQO1
SCHEMBL7669757 0.78 CALM1 (0.44) ALDH1A1CALM1SMN1; SMN2NPC1RAB9A
SCHEMBL3667640 0.78 CALM1 (0.44) ALDH1A1CALM1CTRCSMN1; SMN2BCL2
SCHEMBL11231376 0.76 IDH1 (0.45) IDH1CALM1SMN1; SMN2NPC1RAB9A
SCHEMBL10517900 0.76 CYP3A4 (0.46) IDH1CALM1TDP1

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
CN-1011696-B Substantially non-flammable, biodegradable functional liquids HYDROCOR FORSCH ANALYTIK (DE) 1991-02-20 CN claimed
CN-85101151-A Non-flammable in fact, biodegradable functional liquid 1987-02-18 CN claimed
CN-1011696-B Substantially non-flammable, biodegradable functional liquids HYDROCOR FORSCH ANALYTIK (DE) 1991-02-20 CN disclosed
CN-85101151-A Non-flammable in fact, biodegradable functional liquid 1987-02-18 CN disclosed