SCHEMBL14747572

SCHEMBL14747572

Cc1ccc2oc(C(=O)NCCO)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.59
▸ TAS1R1 Q7RTX1 3/20 0.59
▸ POLB P06746 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ ACKR3 P25106 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL6238132 0.85 TAS1R3 (0.68) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL13723033 0.84 FLT3 (0.59) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL12709572 0.82 TAS1R3 (0.46) TAS1R3TAS1R1THRBHDAC3HDAC4
SCHEMBL15219325 0.81 KDM4E (0.58) TAS1R3TAS1R1HPGDKDM4EALDH1A1
SCHEMBL3193244 0.80 MEN1 (0.52) TAS1R3TAS1R1POLBTHRBHDAC3
SCHEMBL10239431 0.79 ALDH1A1 (0.68) POLBNPC1RAB9AHPGDKDM4E
SCHEMBL445586 0.76 HPGD (0.57) TAS1R3TAS1R1POLBHDAC3HDAC4
SCHEMBL8034219 0.75 TAS1R3 (0.59) TAS1R3TAS1R1NPC1RAB9AHPGD
SCHEMBL8018089 0.75 TAS1R3 (0.55) TAS1R3TAS1R1NPC1RAB9AHPGD
SCHEMBL702631 0.75 PIM1 (0.64) TAS1R3TAS1R1THRBHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
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