SCHEMBL10520043

SCHEMBL10520043

CC(C)c1ccc(NC(=O)C2CC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ NAMPT P43490 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ UBE2M P61081 1/20 0.48
▸ DCUN1D1 Q96GG9 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ AHR P35869 1/20 0.48

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
SCHEMBL12341489 0.82 NAMPT (0.51) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL134242 0.81 KMT2A (0.73) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL9706943 0.81 KMT2A (0.73) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL29462402 0.81 KMT2A (0.73) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL19366192 0.80 RORC (0.60) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL2123696 0.80 EPHX1 (0.46) KMT2ASMN1; SMN2MEN1LMNAHTT
SCHEMBL10521379 0.79 CYP3A4 (0.69) KMT2ASMN1; SMN2MEN1LMNAHPGD
SCHEMBL7972835 0.78 NPSR1 (0.71) KMT2ASMN1; SMN2MEN1LMNANAMPT
SCHEMBL9633496 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHPGDALOX15HTT
SCHEMBL34473944 0.77 KMT2A (0.68) KMT2ASMN1; SMN2MEN1LMNAHPGD

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
EP-0205271-B1 N-(3-CHLORO-4-ISOPROPYLPHENYL)CARBOXAMIDES, PROCESS FOR PRODUCING THEM, AND SELECTIVE HERBICIDES CONTAINING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-02-01 — — EP disclosed
US-4749812-A N-(3-chloro-4-isopropylphenyl) carboxamide derivative and selective herbicide MITSUI TOATSU CHEMICALS, INC. (JP) 1988-06-07 — — US disclosed
EP-0205271-A1 N-(3-chloro-4-isopropylphenyl)carboxamides, process for producing them, and selective herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-12-17 — — EP disclosed
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