SCHEMBL30136747

SCHEMBL30136747

Cc1c(C(=O)C(F)(F)F)oc2c(Br)cc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCL1 Q07820 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ DHODH Q02127 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL24756639 0.85 RAB9A (0.34) ALDH1A1HPGDMCL1NPC1RAB9A
SCHEMBL30136602 0.83 RAB9A (0.40) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL24756665 0.83 RAB9A (0.40) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL24756402 0.81 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2MAPTL3MBTL1
SCHEMBL30136633 0.81 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2MAPTL3MBTL1
SCHEMBL8081972 0.78 MCL1 (0.48) ALDH1A1HPGDMCL1NPC1RAB9A
SCHEMBL24755682 0.74 MCL1 (0.38) ALDH1A1HPGDMCL1NPC1RAB9A
SCHEMBL24756285 0.74 RAB9A (0.54) ALDH1A1SMN1; SMN2MCL1NPC1RAB9A
SCHEMBL7458526 0.73 ALDH1A1 (0.35) ALDH1A1HPGDTSHRSMN1; SMN2MAPT
SCHEMBL24756679 0.71 RAB9A (0.54) HPGDMCL1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334298-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER Scorpion Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022265993-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
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